1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C27H24ClN7O3 — CID 143824151

About 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 143824151) has the molecular formula C27H24ClN7O3 and a molecular weight of 529.99 g/mol. Its IUPAC name is 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 143824151
• Molecular Formula: C27H24ClN7O3
• Molecular Weight: 529.99 g/mol
• Exact Mass: 529.16
• IUPAC Name: 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CC(=O)c1ncnc2c1c(-c1ccccc1Cl)cn2CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
• InChI: InChI=1S/C27H24ClN7O3/c1-16(36)24-23-19(18-5-2-3-6-20(18)28)13-34(26(23)31-15-30-24)14-22(37)33-11-8-17(9-12-33)35-21-7-4-10-29-25(21)32-27(35)38/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H,29,32,38)
• InChIKey: PBDXBEVJUHAXOJ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 118.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.99
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 143824151) is 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC(=O)c1ncnc2c1c(-c1ccccc1Cl)cn2CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.

What is the InChIKey of 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is PBDXBEVJUHAXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O3/c1-16(36)24-23-19(18-5-2-3-6-20(18)28)13-34(26(23)31-15-30-24)14-22(37)33-11-8-17(9-12-33)35-21-7-4-10-29-25(21)32-27(35)38/h2-7,10,13,15,17H,8-9,11-12,14H2,1H3,(H,29,32,38).

What are the key properties of 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 529.99 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 143824151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).