N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C29H24N8 — CID 145036254

About N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145036254) has the molecular formula C29H24N8 and a molecular weight of 484.57 g/mol. Its IUPAC name is N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145036254
• Molecular Formula: C29H24N8
• Molecular Weight: 484.57 g/mol
• Exact Mass: 484.21
• IUPAC Name: N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2)c1)C1CCC1
• InChI: InChI=1S/C29H24N8/c1-17(18-5-4-6-18)33-21-13-20(15-30-16-21)19-8-9-25-23(14-19)27(37-36-25)29-34-26-22(10-12-32-28(26)35-29)24-7-2-3-11-31-24/h2-3,7-16,18,33H,1,4-6H2,(H,36,37)(H,32,34,35)
• InChIKey: HJXDFBAGEVXKNS-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.57
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145036254) is N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2)c1)C1CCC1.

What is the InChIKey of N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is HJXDFBAGEVXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N8/c1-17(18-5-4-6-18)33-21-13-20(15-30-16-21)19-8-9-25-23(14-19)27(37-36-25)29-34-26-22(10-12-32-28(26)35-29)24-7-2-3-11-31-24/h2-3,7-16,18,33H,1,4-6H2,(H,36,37)(H,32,34,35).

What are the key properties of N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 484.57 g/mol, XLogP of 6.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145036254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).