2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C29H26N10O — CID 137038681

About 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137038681) has the molecular formula C29H26N10O and a molecular weight of 530.60 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137038681
• Molecular Formula: C29H26N10O
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.23
• IUPAC Name: 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H26N10O/c40-24(13-17-3-8-30-9-4-17)34-20-14-19(15-32-16-20)21-1-2-23-27(35-21)28(39-38-23)29-36-22-7-12-33-25(26(22)37-29)18-5-10-31-11-6-18/h1-2,5-7,10-12,14-17,30H,3-4,8-9,13H2,(H,34,40)(H,36,37)(H,38,39)
• InChIKey: MHPLXPZGENEXIH-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 150.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137038681) is 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3n2)c1.

What is the InChIKey of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The InChIKey is MHPLXPZGENEXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N10O/c40-24(13-17-3-8-30-9-4-17)34-20-14-19(15-32-16-20)21-1-2-23-27(35-21)28(39-38-23)29-36-22-7-12-33-25(26(22)37-29)18-5-10-31-11-6-18/h1-2,5-7,10-12,14-17,30H,3-4,8-9,13H2,(H,34,40)(H,36,37)(H,38,39).

What are the key properties of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 530.60 g/mol, XLogP of 4.35, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137038681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).