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

C30H29N7O2 — CID 145247233

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

N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide (PubChem CID 145247233) has the molecular formula C30H29N7O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide.

Molecular Properties

• Compound Name: N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide
• PubChem CID: 145247233
• Molecular Formula: C30H29N7O2
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.24
• IUPAC Name: N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide
• SMILES: CCCCC(=O)N/C(C=C1CC1)=C/C(=C\N)c1cnc2n[nH]c(-c3cc4c(-c5ccoc5)cncc4[nH]3)c2c1
• InChI: InChI=1S/C30H29N7O2/c1-2-3-4-28(38)34-22(9-18-5-6-18)10-20(13-31)21-11-24-29(36-37-30(24)33-14-21)26-12-23-25(19-7-8-39-17-19)15-32-16-27(23)35-26/h7-17,35H,2-6,31H2,1H3,(H,34,38)(H,33,36,37)/b20-13+,22-10+
• InChIKey: YHQHWOKNEGKJOC-QZPLHKMTSA-N
• XLogP: 5.97
• TPSA: 138.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	5.97
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-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide?

The IUPAC name of N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide (CID 145247233) is N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide.

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

The canonical SMILES for N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide is CCCCC(=O)N/C(C=C1CC1)=C/C(=C\N)c1cnc2n[nH]c(-c3cc4c(-c5ccoc5)cncc4[nH]3)c2c1.

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

The InChIKey is YHQHWOKNEGKJOC-QZPLHKMTSA-N. The full InChI is InChI=1S/C30H29N7O2/c1-2-3-4-28(38)34-22(9-18-5-6-18)10-20(13-31)21-11-24-29(36-37-30(24)33-14-21)26-12-23-25(19-7-8-39-17-19)15-32-16-27(23)35-26/h7-17,35H,2-6,31H2,1H3,(H,34,38)(H,33,36,37)/b20-13+,22-10+.

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

N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide has a molecular weight of 519.61 g/mol, XLogP of 5.97, 9 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-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide is sourced from PubChem (CID 145247233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).