N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine

C32H34FN7 — CID 145033238

About N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine

N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine (PubChem CID 145033238) has the molecular formula C32H34FN7 and a molecular weight of 535.67 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
• PubChem CID: 145033238
• Molecular Formula: C32H34FN7
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.29
• IUPAC Name: N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
• SMILES: C=C/C=C(/c1ccncc1)c1nc(-c2n[nH]c(=C/C)/c2=C(/F)C(=C)c2cncc(NC(=C)C(C)(C)C)c2)[nH]c1C
• InChI: InChI=1S/C32H34FN7/c1-9-11-25(22-12-14-34-15-13-22)29-20(4)36-31(38-29)30-27(26(10-2)39-40-30)28(33)19(3)23-16-24(18-35-17-23)37-21(5)32(6,7)8/h9-18,37,39H,1,3,5H2,2,4,6-8H3,(H,36,38)/b25-11-,26-10+,28-27-
• InChIKey: HGBLRINTULYZCF-UTJWNFHLSA-N
• XLogP: 6.08
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine?

The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine (CID 145033238) is N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine.

What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine?

The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine is C=C/C=C(/c1ccncc1)c1nc(-c2n[nH]c(=C/C)/c2=C(/F)C(=C)c2cncc(NC(=C)C(C)(C)C)c2)[nH]c1C.

What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine?

The InChIKey is HGBLRINTULYZCF-UTJWNFHLSA-N. The full InChI is InChI=1S/C32H34FN7/c1-9-11-25(22-12-14-34-15-13-22)29-20(4)36-31(38-29)30-27(26(10-2)39-40-30)28(33)19(3)23-16-24(18-35-17-23)37-21(5)32(6,7)8/h9-18,37,39H,1,3,5H2,2,4,6-8H3,(H,36,38)/b25-11-,26-10+,28-27-.

What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine?

N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine has a molecular weight of 535.67 g/mol, XLogP of 6.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine is sourced from PubChem (CID 145033238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).