N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C27H27ClFN9O — CID 139487879

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CN4CCCC4)c3n2)nn1
InChIInChI=1S/C27H27ClFN9O/c28-21-5-8-36-16-31-22(25(36)24(21)29)10-30-27(39)23-15-38(34-33-23)14-20-13-37-12-18(17-3-4-17)9-19(26(37)32-20)11-35-6-1-2-7-35/h5,8-9,12-13,15-17H,1-4,6-7,10-11,14H2,(H,30,39)
InChIKeyJMGPJASBTKSYPA-UHFFFAOYSA-N
MW548.03 g/mol
LogP3.82
Rot. Bonds8

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487879) has the molecular formula C27H27ClFN9O and a molecular weight of 548.03 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487879
Molecular FormulaC27H27ClFN9O
Molecular Weight548.03 g/mol
Exact Mass547.20
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CN4CCCC4)c3n2)nn1
InChIInChI=1S/C27H27ClFN9O/c28-21-5-8-36-16-31-22(25(36)24(21)29)10-30-27(39)23-15-38(34-33-23)14-20-13-37-12-18(17-3-4-17)9-19(26(37)32-20)11-35-6-1-2-7-35/h5,8-9,12-13,15-17H,1-4,6-7,10-11,14H2,(H,30,39)
InChIKeyJMGPJASBTKSYPA-UHFFFAOYSA-N
XLogP3.82
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.03
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487879) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CN4CCCC4)c3n2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is JMGPJASBTKSYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN9O/c28-21-5-8-36-16-31-22(25(36)24(21)29)10-30-27(39)23-15-38(34-33-23)14-20-13-37-12-18(17-3-4-17)9-19(26(37)32-20)11-35-6-1-2-7-35/h5,8-9,12-13,15-17H,1-4,6-7,10-11,14H2,(H,30,39).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 548.03 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).