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

C30H30N8O — CID 145254583

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

N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide (PubChem CID 145254583) has the molecular formula C30H30N8O and a molecular weight of 518.63 g/mol. Its IUPAC name is N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide.

Molecular Properties

• Compound Name: N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide
• PubChem CID: 145254583
• Molecular Formula: C30H30N8O
• Molecular Weight: 518.63 g/mol
• Exact Mass: 518.25
• IUPAC Name: N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide
• SMILES: C=CN/C=C(\C=C(/C)NC(=O)CCCC)c1ccc2[nH]nc(-c3cc4c(-c5ccncc5)cncc4[nH]3)c2n1
• InChI: InChI=1S/C30H30N8O/c1-4-6-7-28(39)34-19(3)14-21(16-31-5-2)24-8-9-25-29(36-24)30(38-37-25)26-15-22-23(17-33-18-27(22)35-26)20-10-12-32-13-11-20/h5,8-18,31,35H,2,4,6-7H2,1,3H3,(H,34,39)(H,37,38)/b19-14+,21-16+
• InChIKey: KHNXVUAIFMXYIF-UFDHTVHMSA-N
• XLogP: 5.85
• TPSA: 124.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.63
LogP ≤ 5	5.85
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-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide?

The IUPAC name of N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide (CID 145254583) is N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide.

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

The canonical SMILES for N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide is C=CN/C=C(\C=C(/C)NC(=O)CCCC)c1ccc2[nH]nc(-c3cc4c(-c5ccncc5)cncc4[nH]3)c2n1.

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

The InChIKey is KHNXVUAIFMXYIF-UFDHTVHMSA-N. The full InChI is InChI=1S/C30H30N8O/c1-4-6-7-28(39)34-19(3)14-21(16-31-5-2)24-8-9-25-29(36-24)30(38-37-25)26-15-22-23(17-33-18-27(22)35-26)20-10-12-32-13-11-20/h5,8-18,31,35H,2,4,6-7H2,1,3H3,(H,34,39)(H,37,38)/b19-14+,21-16+.

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

N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide has a molecular weight of 518.63 g/mol, XLogP of 5.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2E,4E)-5-(ethenylamino)-4-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]penta-2,4-dien-2-yl]pentanamide is sourced from PubChem (CID 145254583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).