N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide

C31H31N5O2 — CID 23878608

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCOc1ccc(-c2nc3c(C(=O)NCc4cccc(CN)c4)cccn3c2Nc2c(C)cccc2C)cc1
InChIInChI=1S/C31H31N5O2/c1-20-7-4-8-21(2)27(20)34-30-28(24-12-14-25(38-3)15-13-24)35-29-26(11-6-16-36(29)30)31(37)33-19-23-10-5-9-22(17-23)18-32/h4-17,34H,18-19,32H2,1-3H3,(H,33,37)
InChIKeyWZEICBZAGJJXFA-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.76
Rot. Bonds8

About N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 23878608) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID23878608
Molecular FormulaC31H31N5O2
Molecular Weight505.62 g/mol
Exact Mass505.25
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCOc1ccc(-c2nc3c(C(=O)NCc4cccc(CN)c4)cccn3c2Nc2c(C)cccc2C)cc1
InChIInChI=1S/C31H31N5O2/c1-20-7-4-8-21(2)27(20)34-30-28(24-12-14-25(38-3)15-13-24)35-29-26(11-6-16-36(29)30)31(37)33-19-23-10-5-9-22(17-23)18-32/h4-17,34H,18-19,32H2,1-3H3,(H,33,37)
InChIKeyWZEICBZAGJJXFA-UHFFFAOYSA-N
XLogP5.76
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 23878608) is N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide is COc1ccc(-c2nc3c(C(=O)NCc4cccc(CN)c4)cccn3c2Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is WZEICBZAGJJXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c1-20-7-4-8-21(2)27(20)34-30-28(24-12-14-25(38-3)15-13-24)35-29-26(11-6-16-36(29)30)31(37)33-19-23-10-5-9-22(17-23)18-32/h4-17,34H,18-19,32H2,1-3H3,(H,33,37).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 5.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 23878608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).