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

C29H26N8OS — CID 137109755

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

2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137109755) has the molecular formula C29H26N8OS and a molecular weight of 534.65 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-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-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137109755
• Molecular Formula: C29H26N8OS
• Molecular Weight: 534.65 g/mol
• Exact Mass: 534.20
• IUPAC Name: 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H26N8OS/c38-25(13-17-8-10-30-11-9-17)32-19-14-18(15-31-16-19)21-6-7-23-27(33-21)28(37-36-23)29-34-22-4-1-3-20(26(22)35-29)24-5-2-12-39-24/h1-7,12,14-17,30H,8-11,13H2,(H,32,38)(H,34,35)(H,36,37)
• InChIKey: NISHWQQYBRHSDG-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 124.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.65
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-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-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137109755) is 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-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-thiophen-2-yl-1H-benzimidazol-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-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is NISHWQQYBRHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8OS/c38-25(13-17-8-10-30-11-9-17)32-19-14-18(15-31-16-19)21-6-7-23-27(33-21)28(37-36-23)29-34-22-4-1-3-20(26(22)35-29)24-5-2-12-39-24/h1-7,12,14-17,30H,8-11,13H2,(H,32,38)(H,34,35)(H,36,37).

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

2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 534.65 g/mol, XLogP of 5.62, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137109755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).