5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

C25H20FN7S — CID 136942780

About 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 136942780) has the molecular formula C25H20FN7S and a molecular weight of 469.55 g/mol. Its IUPAC name is 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
• PubChem CID: 136942780
• Molecular Formula: C25H20FN7S
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.15
• IUPAC Name: 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C25H20FN7S/c1-13(2)29-15-9-14(10-27-11-15)22-21(26)20-18(12-28-22)32-33-24(20)25-30-17-6-3-5-16(23(17)31-25)19-7-4-8-34-19/h3-13,29H,1-2H3,(H,30,31)(H,32,33)
• InChIKey: GKZVPEUADUJOPI-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?

The IUPAC name of 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (CID 136942780) is 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

What is the SMILES notation for 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?

The canonical SMILES for 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3c2F)c1.

What is the InChIKey of 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?

The InChIKey is GKZVPEUADUJOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7S/c1-13(2)29-15-9-14(10-27-11-15)22-21(26)20-18(12-28-22)32-33-24(20)25-30-17-6-3-5-16(23(17)31-25)19-7-4-8-34-19/h3-13,29H,1-2H3,(H,30,31)(H,32,33).

What are the key properties of 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?

5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 469.55 g/mol, XLogP of 6.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 136942780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).