N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide

C23H21ClN8O — CID 139488001

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ncn3ccc(Cl)cc23)nc1Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C23H21ClN8O/c1-30-21(9-17-12-32-11-15(14-2-3-14)4-5-20(32)27-17)28-22(29-30)23(33)25-10-18-19-8-16(24)6-7-31(19)13-26-18/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,33)
InChIKeyPBIJRGWOXAVYDI-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.16
Rot. Bonds6

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 139488001) has the molecular formula C23H21ClN8O and a molecular weight of 460.93 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID139488001
Molecular FormulaC23H21ClN8O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ncn3ccc(Cl)cc23)nc1Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C23H21ClN8O/c1-30-21(9-17-12-32-11-15(14-2-3-14)4-5-20(32)27-17)28-22(29-30)23(33)25-10-18-19-8-16(24)6-7-31(19)13-26-18/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,33)
InChIKeyPBIJRGWOXAVYDI-UHFFFAOYSA-N
XLogP3.16
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide (CID 139488001) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide is Cn1nc(C(=O)NCc2ncn3ccc(Cl)cc23)nc1Cc1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PBIJRGWOXAVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8O/c1-30-21(9-17-12-32-11-15(14-2-3-14)4-5-20(32)27-17)28-22(29-30)23(33)25-10-18-19-8-16(24)6-7-31(19)13-26-18/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,33).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 460.93 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 139488001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).