N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide

C25H18ClFN8O — CID 139487353

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESN#Cc1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12
InChIInChI=1S/C25H18ClFN8O/c26-19-3-4-34-13-31-20(24(34)22(19)27)10-30-25(36)21-12-35(33-32-21)11-14-5-16-7-18(15-1-2-15)9-29-23(16)17(6-14)8-28/h3-7,9,12-13,15H,1-2,10-11H2,(H,30,36)
InChIKeyNJFYJOMANHGWBX-UHFFFAOYSA-N
MW500.93 g/mol
LogP3.99
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide (PubChem CID 139487353) has the molecular formula C25H18ClFN8O and a molecular weight of 500.93 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide
PubChem CID139487353
Molecular FormulaC25H18ClFN8O
Molecular Weight500.93 g/mol
Exact Mass500.13
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESN#Cc1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12
InChIInChI=1S/C25H18ClFN8O/c26-19-3-4-34-13-31-20(24(34)22(19)27)10-30-25(36)21-12-35(33-32-21)11-14-5-16-7-18(15-1-2-15)9-29-23(16)17(6-14)8-28/h3-7,9,12-13,15H,1-2,10-11H2,(H,30,36)
InChIKeyNJFYJOMANHGWBX-UHFFFAOYSA-N
XLogP3.99
TPSA113.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.93
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide (CID 139487353) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide is N#Cc1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?
The InChIKey is NJFYJOMANHGWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN8O/c26-19-3-4-34-13-31-20(24(34)22(19)27)10-30-25(36)21-12-35(33-32-21)11-14-5-16-7-18(15-1-2-15)9-29-23(16)17(6-14)8-28/h3-7,9,12-13,15H,1-2,10-11H2,(H,30,36).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide has a molecular weight of 500.93 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).