N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide

C23H18ClN9O — CID 139487350

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESN#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)nn3)nc12
InChIInChI=1S/C23H18ClN9O/c24-17-3-4-31-13-27-19(21(31)6-17)8-26-23(34)20-12-33(30-29-20)11-18-10-32-9-16(14-1-2-14)5-15(7-25)22(32)28-18/h3-6,9-10,12-14H,1-2,8,11H2,(H,26,34)
InChIKeyXBNODSKUNPKNLB-UHFFFAOYSA-N
MW471.91 g/mol
LogP2.95
Rot. Bonds6

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139487350) has the molecular formula C23H18ClN9O and a molecular weight of 471.91 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
PubChem CID139487350
Molecular FormulaC23H18ClN9O
Molecular Weight471.91 g/mol
Exact Mass471.13
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESN#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)nn3)nc12
InChIInChI=1S/C23H18ClN9O/c24-17-3-4-31-13-27-19(21(31)6-17)8-26-23(34)20-12-33(30-29-20)11-18-10-32-9-16(14-1-2-14)5-15(7-25)22(32)28-18/h3-6,9-10,12-14H,1-2,8,11H2,(H,26,34)
InChIKeyXBNODSKUNPKNLB-UHFFFAOYSA-N
XLogP2.95
TPSA118.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.91
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 139487350) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is N#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)nn3)nc12.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is XBNODSKUNPKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN9O/c24-17-3-4-31-13-27-19(21(31)6-17)8-26-23(34)20-12-33(30-29-20)11-18-10-32-9-16(14-1-2-14)5-15(7-25)22(32)28-18/h3-6,9-10,12-14H,1-2,8,11H2,(H,26,34).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 471.91 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).