2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide

C26H29ClN8O2 — CID 56663565

About 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 56663565) has the molecular formula C26H29ClN8O2 and a molecular weight of 521.03 g/mol. Its IUPAC name is 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 56663565
• Molecular Formula: C26H29ClN8O2
• Molecular Weight: 521.03 g/mol
• Exact Mass: 520.21
• IUPAC Name: 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide
• SMILES: COc1cc(N2CCN(CC(=O)N(C)C)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
• InChI: InChI=1S/C26H29ClN8O2/c1-32(2)24(36)17-33-10-12-34(13-11-33)18-7-8-20(22(14-18)37-3)30-26-29-15-19(27)25(31-26)21-16-28-23-6-4-5-9-35(21)23/h4-9,14-16H,10-13,17H2,1-3H3,(H,29,30,31)
• InChIKey: KUSDVYURZLMGDW-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 91.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.03
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 56663565) is 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide is COc1cc(N2CCN(CC(=O)N(C)C)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.

What is the InChIKey of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide?

The InChIKey is KUSDVYURZLMGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN8O2/c1-32(2)24(36)17-33-10-12-34(13-11-33)18-7-8-20(22(14-18)37-3)30-26-29-15-19(27)25(31-26)21-16-28-23-6-4-5-9-35(21)23/h4-9,14-16H,10-13,17H2,1-3H3,(H,29,30,31).

What are the key properties of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide?

2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 521.03 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 56663565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).