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

C31H27N5S — CID 137088538

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

N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137088538) has the molecular formula C31H27N5S and a molecular weight of 501.66 g/mol. Its IUPAC name is N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137088538
• Molecular Formula: C31H27N5S
• Molecular Weight: 501.66 g/mol
• Exact Mass: 501.20
• IUPAC Name: N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)c1)C1CCCC1
• InChI: InChI=1S/C31H27N5S/c1-19(20-6-2-3-7-20)33-23-14-22(17-32-18-23)21-11-12-28-26(15-21)31(36-35-28)29-16-25-24(30-10-5-13-37-30)8-4-9-27(25)34-29/h4-5,8-18,20,33-34H,1-3,6-7H2,(H,35,36)
• InChIKey: YKEOGAHKSHIHAS-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 69.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.66
LogP ≤ 5	8.62
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-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137088538) is N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)c1)C1CCCC1.

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

The InChIKey is YKEOGAHKSHIHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5S/c1-19(20-6-2-3-7-20)33-23-14-22(17-32-18-23)21-11-12-28-26(15-21)31(36-35-28)29-16-25-24(30-10-5-13-37-30)8-4-9-27(25)34-29/h4-5,8-18,20,33-34H,1-3,6-7H2,(H,35,36).

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

N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 501.66 g/mol, XLogP of 8.62, 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-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137088538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).