1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide

C30H31ClN4O3 — CID 83287026

About 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide

1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 83287026) has the molecular formula C30H31ClN4O3 and a molecular weight of 531.06 g/mol. Its IUPAC name is 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
• PubChem CID: 83287026
• Molecular Formula: C30H31ClN4O3
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.21
• IUPAC Name: 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
• SMILES: COc1ccc(-c2nc3ccc(-c4ccc(Cl)cc4C)cn3c2CCC(=O)N2CCC(C(N)=O)CC2)cc1
• InChI: InChI=1S/C30H31ClN4O3/c1-19-17-23(31)6-9-25(19)22-5-11-27-33-29(20-3-7-24(38-2)8-4-20)26(35(27)18-22)10-12-28(36)34-15-13-21(14-16-34)30(32)37/h3-9,11,17-18,21H,10,12-16H2,1-2H3,(H2,32,37)
• InChIKey: RHZFYRRSVDPKLH-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?

The IUPAC name of 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide (CID 83287026) is 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide is COc1ccc(-c2nc3ccc(-c4ccc(Cl)cc4C)cn3c2CCC(=O)N2CCC(C(N)=O)CC2)cc1.

What is the InChIKey of 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?

The InChIKey is RHZFYRRSVDPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O3/c1-19-17-23(31)6-9-25(19)22-5-11-27-33-29(20-3-7-24(38-2)8-4-20)26(35(27)18-22)10-12-28(36)34-15-13-21(14-16-34)30(32)37/h3-9,11,17-18,21H,10,12-16H2,1-2H3,(H2,32,37).

What are the key properties of 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?

1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 531.06 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 83287026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).