5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine

C24H23N7 — CID 145249560

About 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine

5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine (PubChem CID 145249560) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine
• PubChem CID: 145249560
• Molecular Formula: C24H23N7
• Molecular Weight: 409.50 g/mol
• Exact Mass: 409.20
• IUPAC Name: 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine
• SMILES: C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C24H23N7/c1-3-4-7-15(2)26-17-12-16(13-25-14-17)18-10-11-21-22(27-18)23(31-30-21)24-28-19-8-5-6-9-20(19)29-24/h5-6,8-14,26H,2-4,7H2,1H3,(H,28,29)(H,30,31)
• InChIKey: CKOCAQFDNZGBTR-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.50
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine?

The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine (CID 145249560) is 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine.

What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine?

The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine is C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3n2)c1.

What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine?

The InChIKey is CKOCAQFDNZGBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-3-4-7-15(2)26-17-12-16(13-25-14-17)18-10-11-21-22(27-18)23(31-30-21)24-28-19-8-5-6-9-20(19)29-24/h5-6,8-14,26H,2-4,7H2,1H3,(H,28,29)(H,30,31).

What are the key properties of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine?

5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine has a molecular weight of 409.50 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 145249560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).