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

C29H25N7OS — CID 145251197

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

N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide (PubChem CID 145251197) has the molecular formula C29H25N7OS and a molecular weight of 519.63 g/mol. Its IUPAC name is N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide
• PubChem CID: 145251197
• Molecular Formula: C29H25N7OS
• Molecular Weight: 519.63 g/mol
• Exact Mass: 519.18
• IUPAC Name: N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide
• SMILES: N/C=C(\C=C(/C=C1CC1)NC(=O)C1CC1)c1ccc2[nH]nc(-c3cc4c(-c5cccs5)nccc4[nH]3)c2n1
• InChI: InChI=1S/C29H25N7OS/c30-15-18(13-19(12-16-3-4-16)32-29(37)17-5-6-17)21-7-8-23-27(34-21)28(36-35-23)24-14-20-22(33-24)9-10-31-26(20)25-2-1-11-38-25/h1-2,7-15,17,33H,3-6,30H2,(H,32,37)(H,35,36)/b18-15+,19-13+
• InChIKey: UQSKUFWDFMRPBT-QOQMAJNQSA-N
• XLogP: 5.66
• TPSA: 125.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.63
LogP ≤ 5	5.66
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-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide (CID 145251197) is N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide is N/C=C(\C=C(/C=C1CC1)NC(=O)C1CC1)c1ccc2[nH]nc(-c3cc4c(-c5cccs5)nccc4[nH]3)c2n1.

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

The InChIKey is UQSKUFWDFMRPBT-QOQMAJNQSA-N. The full InChI is InChI=1S/C29H25N7OS/c30-15-18(13-19(12-16-3-4-16)32-29(37)17-5-6-17)21-7-8-23-27(34-21)28(36-35-23)24-14-20-22(33-24)9-10-31-26(20)25-2-1-11-38-25/h1-2,7-15,17,33H,3-6,30H2,(H,32,37)(H,35,36)/b18-15+,19-13+.

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

N-[(2E,4E)-5-amino-1-cyclopropylidene-4-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide has a molecular weight of 519.63 g/mol, XLogP of 5.66, 7 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-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 145251197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).