2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

C25H31N5O2 — CID 127251261

About 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone (PubChem CID 127251261) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 127251261
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
• SMILES: COc1ccccc1CNc1n[nH]c2nc(C3CCN(C(=O)CC4CCCC4)C3)ccc12
• InChI: InChI=1S/C25H31N5O2/c1-32-22-9-5-4-8-18(22)15-26-24-20-10-11-21(27-25(20)29-28-24)19-12-13-30(16-19)23(31)14-17-6-2-3-7-17/h4-5,8-11,17,19H,2-3,6-7,12-16H2,1H3,(H2,26,27,28,29)
• InChIKey: YIWQXPRFAZGJTM-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone (CID 127251261) is 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone is COc1ccccc1CNc1n[nH]c2nc(C3CCN(C(=O)CC4CCCC4)C3)ccc12.

What is the InChIKey of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is YIWQXPRFAZGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-22-9-5-4-8-18(22)15-26-24-20-10-11-21(27-25(20)29-28-24)19-12-13-30(16-19)23(31)14-17-6-2-3-7-17/h4-5,8-11,17,19H,2-3,6-7,12-16H2,1H3,(H2,26,27,28,29).

What are the key properties of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?

2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 433.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 127251261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).