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

C23H20ClFN8O — CID 139488038

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide
SMILESCC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1
InChIInChI=1S/C23H20ClFN8O/c1-13(18-10-32-9-15(14-2-3-14)4-5-20(32)28-18)33-11-19(29-30-33)23(34)26-8-17-22-21(25)16(24)6-7-31(22)12-27-17/h4-7,9-14H,2-3,8H2,1H3,(H,26,34)
InChIKeySWWAWYDDCWOBQB-UHFFFAOYSA-N
MW478.92 g/mol
LogP3.78
Rot. Bonds6

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 139488038) has the molecular formula C23H20ClFN8O and a molecular weight of 478.92 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide
PubChem CID139488038
Molecular FormulaC23H20ClFN8O
Molecular Weight478.92 g/mol
Exact Mass478.14
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide
SMILESCC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1
InChIInChI=1S/C23H20ClFN8O/c1-13(18-10-32-9-15(14-2-3-14)4-5-20(32)28-18)33-11-19(29-30-33)23(34)26-8-17-22-21(25)16(24)6-7-31(22)12-27-17/h4-7,9-14H,2-3,8H2,1H3,(H,26,34)
InChIKeySWWAWYDDCWOBQB-UHFFFAOYSA-N
XLogP3.78
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide (CID 139488038) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide is CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is SWWAWYDDCWOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN8O/c1-13(18-10-32-9-15(14-2-3-14)4-5-20(32)28-18)33-11-19(29-30-33)23(34)26-8-17-22-21(25)16(24)6-7-31(22)12-27-17/h4-7,9-14H,2-3,8H2,1H3,(H,26,34).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 478.92 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 139488038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).