(3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine

C36H37FN4 — CID 145254798

About (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine

(3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine (PubChem CID 145254798) has the molecular formula C36H37FN4 and a molecular weight of 544.72 g/mol. Its IUPAC name is (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine.

Molecular Properties

• Compound Name: (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine
• PubChem CID: 145254798
• Molecular Formula: C36H37FN4
• Molecular Weight: 544.72 g/mol
• Exact Mass: 544.30
• IUPAC Name: (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine
• SMILES: C=C/C(=C\C(=C/C)C(=C)/C=c1/c(-c2cc3c(-c4ccc(F)cc4)cccc3[nH]2)n[nH]/c1=C/C)NC(=C)C1CCCC1
• InChI: InChI=1S/C36H37FN4/c1-6-25(21-29(7-2)38-24(5)26-12-9-10-13-26)23(4)20-32-33(8-3)40-41-36(32)35-22-31-30(14-11-15-34(31)39-35)27-16-18-28(37)19-17-27/h6-8,11,14-22,26,38-40H,2,4-5,9-10,12-13H2,1,3H3/b25-6+,29-21+,32-20+,33-8+
• InChIKey: HKARFYREYYQQOE-LOSHBVTGSA-N
• XLogP: 7.81
• TPSA: 56.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.72
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine?

The IUPAC name of (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine (CID 145254798) is (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine.

What is the SMILES notation for (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine?

The canonical SMILES for (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine is C=C/C(=C\C(=C/C)C(=C)/C=c1/c(-c2cc3c(-c4ccc(F)cc4)cccc3[nH]2)n[nH]/c1=C/C)NC(=C)C1CCCC1.

What is the InChIKey of (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine?

The InChIKey is HKARFYREYYQQOE-LOSHBVTGSA-N. The full InChI is InChI=1S/C36H37FN4/c1-6-25(21-29(7-2)38-24(5)26-12-9-10-13-26)23(4)20-32-33(8-3)40-41-36(32)35-22-31-30(14-11-15-34(31)39-35)27-16-18-28(37)19-17-27/h6-8,11,14-22,26,38-40H,2,4-5,9-10,12-13H2,1,3H3/b25-6+,29-21+,32-20+,33-8+.

What are the key properties of (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine?

(3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine has a molecular weight of 544.72 g/mol, XLogP of 7.81, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5E)-N-(1-cyclopentylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 145254798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).