N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C25H23ClN12O — CID 139487959

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1
InChIInChI=1S/C25H23ClN12O/c26-18-5-6-36-14-28-20(22(36)8-18)9-27-25(39)21-13-38(35-30-21)12-19-11-37-10-17(15-1-2-15)7-16(24(37)29-19)3-4-23-31-33-34-32-23/h5-8,10-11,13-15H,1-4,9,12H2,(H,27,39)(H,31,32,33,34)
InChIKeyCEFZLTMWWGJJIG-UHFFFAOYSA-N
MW543.00 g/mol
LogP2.38
Rot. Bonds9

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487959) has the molecular formula C25H23ClN12O and a molecular weight of 543.00 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487959
Molecular FormulaC25H23ClN12O
Molecular Weight543.00 g/mol
Exact Mass542.18
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1
InChIInChI=1S/C25H23ClN12O/c26-18-5-6-36-14-28-20(22(36)8-18)9-27-25(39)21-13-38(35-30-21)12-19-11-37-10-17(15-1-2-15)7-16(24(37)29-19)3-4-23-31-33-34-32-23/h5-8,10-11,13-15H,1-4,9,12H2,(H,27,39)(H,31,32,33,34)
InChIKeyCEFZLTMWWGJJIG-UHFFFAOYSA-N
XLogP2.38
TPSA148.87 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.00
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[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-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487959) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[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-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[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-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is CEFZLTMWWGJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN12O/c26-18-5-6-36-14-28-20(22(36)8-18)9-27-25(39)21-13-38(35-30-21)12-19-11-37-10-17(15-1-2-15)7-16(24(37)29-19)3-4-23-31-33-34-32-23/h5-8,10-11,13-15H,1-4,9,12H2,(H,27,39)(H,31,32,33,34).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 543.00 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).