N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

C25H21N7O — CID 137109258

About N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 137109258) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• PubChem CID: 137109258
• Molecular Formula: C25H21N7O
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.18
• IUPAC Name: N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• SMILES: CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C25H21N7O/c1-2-26-11-15-10-17(13-27-12-15)19-6-7-21-23(28-19)24(32-31-21)25-29-20-5-3-4-18(22(20)30-25)16-8-9-33-14-16/h3-10,12-14,26H,2,11H2,1H3,(H,29,30)(H,31,32)
• InChIKey: WYLIVQPEMZQLLO-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 108.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The IUPAC name of N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (CID 137109258) is N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

What is the SMILES notation for N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The canonical SMILES for N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is WYLIVQPEMZQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-2-26-11-15-10-17(13-27-12-15)19-6-7-21-23(28-19)24(32-31-21)25-29-20-5-3-4-18(22(20)30-25)16-8-9-33-14-16/h3-10,12-14,26H,2,11H2,1H3,(H,29,30)(H,31,32).

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

N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 435.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137109258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).