2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide

C28H25N9OS — CID 136947286

About 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide

2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 136947286) has the molecular formula C28H25N9OS and a molecular weight of 535.64 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 136947286
• Molecular Formula: C28H25N9OS
• Molecular Weight: 535.64 g/mol
• Exact Mass: 535.19
• IUPAC Name: 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C28H25N9OS/c38-25(7-16-1-4-29-5-2-16)33-19-8-18(10-30-11-19)22-9-20-23(14-32-22)36-37-27(20)28-34-24-13-31-12-21(26(24)35-28)17-3-6-39-15-17/h3,6,8-16,29H,1-2,4-5,7H2,(H,33,38)(H,34,35)(H,36,37)
• InChIKey: MLKVOSUZPAHNDG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 137.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.64
LogP ≤ 5	5.01
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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (CID 136947286) is 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cncc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?

The InChIKey is MLKVOSUZPAHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N9OS/c38-25(7-16-1-4-29-5-2-16)33-19-8-18(10-30-11-19)22-9-20-23(14-32-22)36-37-27(20)28-34-24-13-31-12-21(26(24)35-28)17-3-6-39-15-17/h3,6,8-16,29H,1-2,4-5,7H2,(H,33,38)(H,34,35)(H,36,37).

What are the key properties of 2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?

2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 535.64 g/mol, XLogP of 5.01, 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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 136947286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).