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

C25H21ClFN11O — CID 139488044

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)n1
InChIInChI=1S/C25H21ClFN11O/c1-14-29-13-38(33-14)21-6-16(15-2-3-15)8-36-9-17(31-24(21)36)10-37-11-20(32-34-37)25(39)28-7-19-23-22(27)18(26)4-5-35(23)12-30-19/h4-6,8-9,11-13,15H,2-3,7,10H2,1H3,(H,28,39)
InChIKeyIJRHLSLXZJLQLB-UHFFFAOYSA-N
MW545.97 g/mol
LogP3.11
Rot. Bonds7

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-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-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139488044) has the molecular formula C25H21ClFN11O and a molecular weight of 545.97 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-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-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139488044
Molecular FormulaC25H21ClFN11O
Molecular Weight545.97 g/mol
Exact Mass545.16
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)n1
InChIInChI=1S/C25H21ClFN11O/c1-14-29-13-38(33-14)21-6-16(15-2-3-15)8-36-9-17(31-24(21)36)10-37-11-20(32-34-37)25(39)28-7-19-23-22(27)18(26)4-5-35(23)12-30-19/h4-6,8-9,11-13,15H,2-3,7,10H2,1H3,(H,28,39)
InChIKeyIJRHLSLXZJLQLB-UHFFFAOYSA-N
XLogP3.11
TPSA125.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.97
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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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-(3-methyl-1,2,4-triazol-1-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-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139488044) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-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-(3-methyl-1,2,4-triazol-1-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-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is Cc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)n1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is IJRHLSLXZJLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN11O/c1-14-29-13-38(33-14)21-6-16(15-2-3-15)8-36-9-17(31-24(21)36)10-37-11-20(32-34-37)25(39)28-7-19-23-22(27)18(26)4-5-35(23)12-30-19/h4-6,8-9,11-13,15H,2-3,7,10H2,1H3,(H,28,39).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-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-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 545.97 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 11 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-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).