M3U

(2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide

Created:	2022-07-21
Last modified:	2022-09-14

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1 entries where M3U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	2
Bond Count	41
Aromatic Bond Count	10

2D diagram of M3U

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Chemical Component Summary
Name	(2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide
Formula	C₁₄ H₁₅ F₂ N₅ O₃
Molecular Weight	339.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)[CH]1C[CH](CN1C(=O)c2cnc3c[nH]nc3c2)OC(F)F
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)C1CC(CN1C(=O)c2cc3c(c[nH]n3)nc2)OC(F)F
Canonical SMILES	CACTVS	3.385	CNC(=O)[C@H]1C[C@@H](CN1C(=O)c2cnc3c[nH]nc3c2)OC(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)[C@H]1C[C@@H](CN1C(=O)c2cc3c(c[nH]n3)nc2)OC(F)F
InChI	InChI	1.06	InChI=1S/C14H15F2N5O3/c1-17-12(22)11-3-8(24-14(15)16)6-21(11)13(23)7-2-9-10(18-4-7)5-19-20-9/h2,4-5,8,11,14H,3,6H2,1H3,(H,17,22)(H,19,20)/t8-,11+/m0/s1
InChIKey	InChI	1.06	IIQVNHRKCWVSPV-GZMMTYOYSA-N

Related Resource References

Resource Name	Reference
PubChem	164889284

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