N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide

C20H14Cl2FN7O — CID 139487670

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ccc(Cl)cc3[nH]2)nn1
InChIInChI=1S/C20H14Cl2FN7O/c21-12-2-1-11-5-13(26-15(11)6-12)8-30-9-17(27-28-30)20(31)24-7-16-19-18(23)14(22)3-4-29(19)10-25-16/h1-6,9-10,26H,7-8H2,(H,24,31)
InChIKeyOFEKCDHORHPTSX-UHFFFAOYSA-N
MW458.28 g/mol
LogP3.83
Rot. Bonds5

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139487670) has the molecular formula C20H14Cl2FN7O and a molecular weight of 458.28 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide
PubChem CID139487670
Molecular FormulaC20H14Cl2FN7O
Molecular Weight458.28 g/mol
Exact Mass457.06
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ccc(Cl)cc3[nH]2)nn1
InChIInChI=1S/C20H14Cl2FN7O/c21-12-2-1-11-5-13(26-15(11)6-12)8-30-9-17(27-28-30)20(31)24-7-16-19-18(23)14(22)3-4-29(19)10-25-16/h1-6,9-10,26H,7-8H2,(H,24,31)
InChIKeyOFEKCDHORHPTSX-UHFFFAOYSA-N
XLogP3.83
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide (CID 139487670) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-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-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ccc(Cl)cc3[nH]2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is OFEKCDHORHPTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN7O/c21-12-2-1-11-5-13(26-15(11)6-12)8-30-9-17(27-28-30)20(31)24-7-16-19-18(23)14(22)3-4-29(19)10-25-16/h1-6,9-10,26H,7-8H2,(H,24,31).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 458.28 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-chloro-1H-indol-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).