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

C29H24N8O3 — CID 137109843

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

N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137109843) has the molecular formula C29H24N8O3 and a molecular weight of 532.56 g/mol. Its IUPAC name is N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 137109843
• Molecular Formula: C29H24N8O3
• Molecular Weight: 532.56 g/mol
• Exact Mass: 532.20
• IUPAC Name: N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc7c(c6)OCO7)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H24N8O3/c1-2-3-4-25(38)32-18-9-17(11-30-12-18)20-6-7-21-27(33-20)28(37-36-21)29-34-22-14-31-13-19(26(22)35-29)16-5-8-23-24(10-16)40-15-39-23/h5-14H,2-4,15H2,1H3,(H,32,38)(H,34,35)(H,36,37)
• InChIKey: CIAVGFQHBCZWFK-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 143.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.56
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 137109843) is N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc7c(c6)OCO7)cncc5[nH]4)c3n2)c1.

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

The InChIKey is CIAVGFQHBCZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N8O3/c1-2-3-4-25(38)32-18-9-17(11-30-12-18)20-6-7-21-27(33-20)28(37-36-21)29-34-22-14-31-13-19(26(22)35-29)16-5-8-23-24(10-16)40-15-39-23/h5-14H,2-4,15H2,1H3,(H,32,38)(H,34,35)(H,36,37).

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

N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 532.56 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137109843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).