methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

C25H20ClN5O2 — CID 170937601

IUPACmethyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(-n4ccnc4)cc3)c(NCc3cccc(Cl)c3)n2c1
InChIInChI=1S/C25H20ClN5O2/c1-33-25(32)19-7-10-22-29-23(18-5-8-21(9-6-18)30-12-11-27-16-30)24(31(22)15-19)28-14-17-3-2-4-20(26)13-17/h2-13,15-16,28H,14H2,1H3
InChIKeyGDMAXVKRYULCNY-UHFFFAOYSA-N
MW457.92 g/mol
LogP5.24
Rot. Bonds6

About methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 170937601) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID170937601
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Namemethyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(-n4ccnc4)cc3)c(NCc3cccc(Cl)c3)n2c1
InChIInChI=1S/C25H20ClN5O2/c1-33-25(32)19-7-10-22-29-23(18-5-8-21(9-6-18)30-12-11-27-16-30)24(31(22)15-19)28-14-17-3-2-4-20(26)13-17/h2-13,15-16,28H,14H2,1H3
InChIKeyGDMAXVKRYULCNY-UHFFFAOYSA-N
XLogP5.24
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.92
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate 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 methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 170937601) is methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(-n4ccnc4)cc3)c(NCc3cccc(Cl)c3)n2c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is GDMAXVKRYULCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-33-25(32)19-7-10-22-29-23(18-5-8-21(9-6-18)30-12-11-27-16-30)24(31(22)15-19)28-14-17-3-2-4-20(26)13-17/h2-13,15-16,28H,14H2,1H3.
What are the key properties of methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 457.92 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 170937601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).