N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide

C31H30N8O — CID 145248505

About N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide

N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide (PubChem CID 145248505) has the molecular formula C31H30N8O and a molecular weight of 530.64 g/mol. Its IUPAC name is N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 145248505
• Molecular Formula: C31H30N8O
• Molecular Weight: 530.64 g/mol
• Exact Mass: 530.25
• IUPAC Name: N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)N/C(C=C1CC1)=C/C(=C\N)c1cnc2n[nH]c(-c3cc4c(-c5ccncc5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C31H30N8O/c1-31(2,3)30(40)36-22(12-18-4-5-18)13-20(16-32)21-14-24-28(38-39-29(24)35-17-21)26-15-23-25(37-26)8-11-34-27(23)19-6-9-33-10-7-19/h6-17,37H,4-5,32H2,1-3H3,(H,36,40)(H,35,38,39)/b20-16+,22-13+
• InChIKey: HFBQNVOWRITKLQ-KRKCYQEYSA-N
• XLogP: 5.63
• TPSA: 138.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.64
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	4
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-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide (CID 145248505) is N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N/C(C=C1CC1)=C/C(=C\N)c1cnc2n[nH]c(-c3cc4c(-c5ccncc5)nccc4[nH]3)c2c1.

What is the InChIKey of N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide?

The InChIKey is HFBQNVOWRITKLQ-KRKCYQEYSA-N. The full InChI is InChI=1S/C31H30N8O/c1-31(2,3)30(40)36-22(12-18-4-5-18)13-20(16-32)21-14-24-28(38-39-29(24)35-17-21)26-15-23-25(37-26)8-11-34-27(23)19-6-9-33-10-7-19/h6-17,37H,4-5,32H2,1-3H3,(H,36,40)(H,35,38,39)/b20-16+,22-13+.

What are the key properties of N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide?

N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide has a molecular weight of 530.64 g/mol, XLogP of 5.63, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 145248505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).