5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

C32H28FN5 — CID 137088527

About 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 137088527) has the molecular formula C32H28FN5 and a molecular weight of 501.61 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• PubChem CID: 137088527
• Molecular Formula: C32H28FN5
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.23
• IUPAC Name: 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C32H28FN5/c1-19(2)13-20(3)35-25-14-23(17-34-18-25)22-9-12-30-28(15-22)32(38-37-30)31-16-27-26(5-4-6-29(27)36-31)21-7-10-24(33)11-8-21/h4-12,14-19,35-36H,3,13H2,1-2H3,(H,37,38)
• InChIKey: FHEKNVZARCRQPE-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 69.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The IUPAC name of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 137088527) is 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The InChIKey is FHEKNVZARCRQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN5/c1-19(2)13-20(3)35-25-14-23(17-34-18-25)22-9-12-30-28(15-22)32(38-37-30)31-16-27-26(5-4-6-29(27)36-31)21-7-10-24(33)11-8-21/h4-12,14-19,35-36H,3,13H2,1-2H3,(H,37,38).

What are the key properties of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 501.61 g/mol, XLogP of 8.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 137088527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).