M4I

~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide

Created:	2022-07-22
Last modified:	2022-09-14

Find Related PDB Entry
1 entries where M4I is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	10

2D diagram of M4I

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Formula	C₁₁ H₁₄ N₄ O
Molecular Weight	218.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)c1cncc2[nH]nc(C(C)C)c12
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1c2c(cncc2[nH]n1)C(=O)NC
Canonical SMILES	CACTVS	3.385	CNC(=O)c1cncc2[nH]nc(C(C)C)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1c2c(cncc2[nH]n1)C(=O)NC
InChI	InChI	1.06	InChI=1S/C11H14N4O/c1-6(2)10-9-7(11(16)12-3)4-13-5-8(9)14-15-10/h4-6H,1-3H3,(H,12,16)(H,14,15)
InChIKey	InChI	1.06	GEGYOOMXCGLHBJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	164889285

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.