N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine

C25H27N7 — CID 137033432

About N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine

N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine (PubChem CID 137033432) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine.

Molecular Properties

• Compound Name: N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine
• PubChem CID: 137033432
• Molecular Formula: C25H27N7
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.23
• IUPAC Name: N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine
• SMILES: C=N/C=C(\C=C(/C)CN1CCCCC1)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1
• InChI: InChI=1S/C25H27N7/c1-17(16-32-8-4-3-5-9-32)10-19(13-26-2)21-12-20-24(15-28-21)30-31-25(20)22-11-18-6-7-27-14-23(18)29-22/h6-7,10-15,29H,2-5,8-9,16H2,1H3,(H,30,31)/b17-10+,19-13+
• InChIKey: CJFNLVVGBQFZPT-VCJKRDCGSA-N
• XLogP: 4.97
• TPSA: 85.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine?

The IUPAC name of N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine (CID 137033432) is N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine.

What is the SMILES notation for N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine?

The canonical SMILES for N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine is C=N/C=C(\C=C(/C)CN1CCCCC1)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1.

What is the InChIKey of N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine?

The InChIKey is CJFNLVVGBQFZPT-VCJKRDCGSA-N. The full InChI is InChI=1S/C25H27N7/c1-17(16-32-8-4-3-5-9-32)10-19(13-26-2)21-12-20-24(15-28-21)30-31-25(20)22-11-18-6-7-27-14-23(18)29-22/h6-7,10-15,29H,2-5,8-9,16H2,1H3,(H,30,31)/b17-10+,19-13+.

What are the key properties of N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine?

N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine has a molecular weight of 425.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 137033432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).