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

C27H23N9O — CID 136946447

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

N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 136946447) has the molecular formula C27H23N9O and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 136946447
• Molecular Formula: C27H23N9O
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.20
• IUPAC Name: N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C27H23N9O/c1-2-3-4-24(37)32-18-9-17(11-29-12-18)21-10-19-22(15-31-21)35-36-26(19)27-33-23-14-30-13-20(25(23)34-27)16-5-7-28-8-6-16/h5-15H,2-4H2,1H3,(H,32,37)(H,33,34)(H,35,36)
• InChIKey: JWQHDAVSJRVGNX-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 138.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

The IUPAC name of N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 136946447) is N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is JWQHDAVSJRVGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c1-2-3-4-24(37)32-18-9-17(11-29-12-18)21-10-19-22(15-31-21)35-36-26(19)27-33-23-14-30-13-20(25(23)34-27)16-5-7-28-8-6-16/h5-15H,2-4H2,1H3,(H,32,37)(H,33,34)(H,35,36).

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

N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 489.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 136946447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).