2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide

C24H22ClN3O4 — CID 46224270

IUPAC2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(-c4ccc(Cl)cc4)c(CO)n3c2)cc1OC
InChIInChI=1S/C24H22ClN3O4/c1-31-20-9-3-15(11-21(20)32-2)12-26-24(30)17-6-10-22-27-23(19(14-29)28(22)13-17)16-4-7-18(25)8-5-16/h3-11,13,29H,12,14H2,1-2H3,(H,26,30)
InChIKeyKXJSVKATMKLTQN-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.09
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide

2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46224270) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46224270
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Name2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(-c4ccc(Cl)cc4)c(CO)n3c2)cc1OC
InChIInChI=1S/C24H22ClN3O4/c1-31-20-9-3-15(11-21(20)32-2)12-26-24(30)17-6-10-22-27-23(19(14-29)28(22)13-17)16-4-7-18(25)8-5-16/h3-11,13,29H,12,14H2,1-2H3,(H,26,30)
InChIKeyKXJSVKATMKLTQN-UHFFFAOYSA-N
XLogP4.09
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46224270) is 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide is COc1ccc(CNC(=O)c2ccc3nc(-c4ccc(Cl)cc4)c(CO)n3c2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KXJSVKATMKLTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-31-20-9-3-15(11-21(20)32-2)12-26-24(30)17-6-10-22-27-23(19(14-29)28(22)13-17)16-4-7-18(25)8-5-16/h3-11,13,29H,12,14H2,1-2H3,(H,26,30).
What are the key properties of 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46224270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).