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

C32H28N6 — CID 145248245

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

N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145248245) has the molecular formula C32H28N6 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145248245
• Molecular Formula: C32H28N6
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.24
• IUPAC Name: N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)C1CCCC1
• InChI: InChI=1S/C32H28N6/c1-20(21-5-2-3-6-21)35-25-15-24(18-34-19-25)23-9-10-30-28(16-23)32(38-37-30)31-17-27-26(7-4-8-29(27)36-31)22-11-13-33-14-12-22/h4,7-19,21,35-36H,1-3,5-6H2,(H,37,38)
• InChIKey: QICYWGXSTUAAMS-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145248245) is N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)C1CCCC1.

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

The InChIKey is QICYWGXSTUAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6/c1-20(21-5-2-3-6-21)35-25-15-24(18-34-19-25)23-9-10-30-28(16-23)32(38-37-30)31-17-27-26(7-4-8-29(27)36-31)22-11-13-33-14-12-22/h4,7-19,21,35-36H,1-3,5-6H2,(H,37,38).

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

N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 496.62 g/mol, XLogP of 7.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145248245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).