9WO

N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide

Created:	2018-08-22
Last modified:	2019-08-14

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1 entries where 9WO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	21

2D diagram of 9WO

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Chemical Component Summary
Name	N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(3~{S})-1-(3-pyridin-4-yl-1~{H}-pyrazol-5-yl)piperidin-3-yl]-1~{H}-indole-2-carboxamide
Formula	C₂₂ H₂₂ N₆ O
Molecular Weight	386.45
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c1ccccc1nc2C(NC3CCCN(C3)c4cc(nn4)c5ccncc5)=O
SMILES	CACTVS	3.385	O=C(N[CH]1CCCN(C1)c2[nH]nc(c2)c3ccncc3)c4[nH]c5ccccc5c4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)cc([nH]2)C(=O)NC3CCCN(C3)c4cc(n[nH]4)c5ccncc5
Canonical SMILES	CACTVS	3.385	O=C(N[C@H]1CCCN(C1)c2[nH]nc(c2)c3ccncc3)c4[nH]c5ccccc5c4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)cc([nH]2)C(=O)N[C@H]3CCCN(C3)c4cc(n[nH]4)c5ccncc5
InChI	InChI	1.03	InChI=1S/C22H22N6O/c29-22(20-12-16-4-1-2-6-18(16)25-20)24-17-5-3-11-28(14-17)21-13-19(26-27-21)15-7-9-23-10-8-15/h1-2,4,6-10,12-13,17,25H,3,5,11,14H2,(H,24,29)(H,26,27)/t17-/m0/s1
InChIKey	InChI	1.03	ZFKKLBZXLNWYEO-KRWDZBQOSA-N

Related Resource References

Resource Name	Reference
PubChem	97429072

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