N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C29H26N6S — CID 145252067

About N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252067) has the molecular formula C29H26N6S and a molecular weight of 490.64 g/mol. Its IUPAC name is N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145252067
• Molecular Formula: C29H26N6S
• Molecular Weight: 490.64 g/mol
• Exact Mass: 490.19
• IUPAC Name: N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H26N6S/c1-3-4-5-18(2)32-22-12-21(15-30-16-22)19-6-7-26-23(13-19)29(35-34-26)27-14-24-25(33-27)8-10-31-28(24)20-9-11-36-17-20/h6-17,32-33H,2-5H2,1H3,(H,34,35)
• InChIKey: FXJXGEQIPIQIJY-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.64
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145252067) is N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is FXJXGEQIPIQIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6S/c1-3-4-5-18(2)32-22-12-21(15-30-16-22)19-6-7-26-23(13-19)29(35-34-26)27-14-24-25(33-27)8-10-31-28(24)20-9-11-36-17-20/h6-17,32-33H,2-5H2,1H3,(H,34,35).

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

N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 490.64 g/mol, XLogP of 8.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).