N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

C29H26N8 — CID 145038555

About N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145038555) has the molecular formula C29H26N8 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145038555
• Molecular Formula: C29H26N8
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.23
• IUPAC Name: N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C/C=C(/c1ccncc1)c1nc(-c2[nH]nc3ncc(-c4cncc(NC(=C)C5CC5)c4)cc23)[nH]c1C
• InChI: InChI=1S/C29H26N8/c1-4-5-24(20-8-10-30-11-9-20)26-18(3)34-29(35-26)27-25-13-22(15-32-28(25)37-36-27)21-12-23(16-31-14-21)33-17(2)19-6-7-19/h4-5,8-16,19,33H,1-2,6-7H2,3H3,(H,34,35)(H,32,36,37)/b24-5-
• InChIKey: IUFZZAKNVUAHII-ZRJGMHBZSA-N
• XLogP: 6.07
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 145038555) is N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is C=C/C=C(/c1ccncc1)c1nc(-c2[nH]nc3ncc(-c4cncc(NC(=C)C5CC5)c4)cc23)[nH]c1C.

What is the InChIKey of N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is IUFZZAKNVUAHII-ZRJGMHBZSA-N. The full InChI is InChI=1S/C29H26N8/c1-4-5-24(20-8-10-30-11-9-20)26-18(3)34-29(35-26)27-25-13-22(15-32-28(25)37-36-27)21-12-23(16-31-14-21)33-17(2)19-6-7-19/h4-5,8-16,19,33H,1-2,6-7H2,3H3,(H,34,35)(H,32,36,37)/b24-5-.

What are the key properties of N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 486.58 g/mol, XLogP of 6.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145038555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).