5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

C28H24FN7S — CID 145034254

About 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145034254) has the molecular formula C28H24FN7S and a molecular weight of 509.61 g/mol. Its IUPAC name is 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145034254
• Molecular Formula: C28H24FN7S
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.18
• IUPAC Name: 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(CC(C)C)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C28H24FN7S/c1-15(2)8-16(3)32-19-9-18(12-30-13-19)20-10-21-24(11-22(20)29)35-36-26(21)28-33-23-4-6-31-25(27(23)34-28)17-5-7-37-14-17/h4-7,9-15,32H,3,8H2,1-2H3,(H,33,34)(H,35,36)
• InChIKey: FWBCDGRSQHPWFL-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The IUPAC name of 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 145034254) is 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C=C(CC(C)C)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cc2F)c1.

What is the InChIKey of 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The InChIKey is FWBCDGRSQHPWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7S/c1-15(2)8-16(3)32-19-9-18(12-30-13-19)20-10-21-24(11-22(20)29)35-36-26(21)28-33-23-4-6-31-25(27(23)34-28)17-5-7-37-14-17/h4-7,9-15,32H,3,8H2,1-2H3,(H,33,34)(H,35,36).

What are the key properties of 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 509.61 g/mol, XLogP of 7.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145034254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).