N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C25H19ClFN9OS — CID 139487904

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-c4cncs4)c3n2)nn1
InChIInChI=1S/C25H19ClFN9OS/c26-18-3-4-34-12-30-19(23(34)22(18)27)6-29-25(37)20-11-36(33-32-20)10-16-9-35-8-15(14-1-2-14)5-17(24(35)31-16)21-7-28-13-38-21/h3-5,7-9,11-14H,1-2,6,10H2,(H,29,37)
InChIKeyAZUCKQGHHWSZRR-UHFFFAOYSA-N
MW548.01 g/mol
LogP4.35
Rot. Bonds7

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)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-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487904) has the molecular formula C25H19ClFN9OS and a molecular weight of 548.01 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)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-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487904
Molecular FormulaC25H19ClFN9OS
Molecular Weight548.01 g/mol
Exact Mass547.11
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-c4cncs4)c3n2)nn1
InChIInChI=1S/C25H19ClFN9OS/c26-18-3-4-34-12-30-19(23(34)22(18)27)6-29-25(37)20-11-36(33-32-20)10-16-9-35-8-15(14-1-2-14)5-17(24(35)31-16)21-7-28-13-38-21/h3-5,7-9,11-14H,1-2,6,10H2,(H,29,37)
InChIKeyAZUCKQGHHWSZRR-UHFFFAOYSA-N
XLogP4.35
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.01
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide with MolForge

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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-(1,3-thiazol-5-yl)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-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487904) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)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-(1,3-thiazol-5-yl)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-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-c4cncs4)c3n2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is AZUCKQGHHWSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN9OS/c26-18-3-4-34-12-30-19(23(34)22(18)27)6-29-25(37)20-11-36(33-32-20)10-16-9-35-8-15(14-1-2-14)5-17(24(35)31-16)21-7-28-13-38-21/h3-5,7-9,11-14H,1-2,6,10H2,(H,29,37).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3-thiazol-5-yl)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-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 548.01 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-(1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).