N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

C26H19FN8O — CID 136942586

About N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 136942586) has the molecular formula C26H19FN8O and a molecular weight of 478.49 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 136942586
• Molecular Formula: C26H19FN8O
• Molecular Weight: 478.49 g/mol
• Exact Mass: 478.17
• IUPAC Name: N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccccn6)cccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C26H19FN8O/c1-2-20(36)31-15-10-14(11-28-12-15)23-22(27)21-19(13-30-23)34-35-25(21)26-32-18-8-5-6-16(24(18)33-26)17-7-3-4-9-29-17/h3-13H,2H2,1H3,(H,31,36)(H,32,33)(H,34,35)
• InChIKey: LEQJITUVOJCWGL-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.49
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (CID 136942586) is N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccccn6)cccc5[nH]4)c3c2F)c1.

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

The InChIKey is LEQJITUVOJCWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN8O/c1-2-20(36)31-15-10-14(11-28-12-15)23-22(27)21-19(13-30-23)34-35-25(21)26-32-18-8-5-6-16(24(18)33-26)17-7-3-4-9-29-17/h3-13H,2H2,1H3,(H,31,36)(H,32,33)(H,34,35).

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

N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 478.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 136942586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).