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

C37H47N5 — CID 145032816

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

(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine (PubChem CID 145032816) has the molecular formula C37H47N5 and a molecular weight of 561.82 g/mol. Its IUPAC name is (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine
• PubChem CID: 145032816
• Molecular Formula: C37H47N5
• Molecular Weight: 561.82 g/mol
• Exact Mass: 561.38
• IUPAC Name: (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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(N4CCCCC4)cccc3[nH]2)n[nH]/c1=C/C)NC(=C)CC1CCCCC1
• InChI: InChI=1S/C37H47N5/c1-6-29(24-30(7-2)38-27(5)23-28-16-11-9-12-17-28)26(4)22-32-33(8-3)40-41-37(32)35-25-31-34(39-35)18-15-19-36(31)42-20-13-10-14-21-42/h6-8,15,18-19,22,24-25,28,38-40H,2,4-5,9-14,16-17,20-21,23H2,1,3H3/b29-6+,30-24+,32-22+,33-8+
• InChIKey: OOCDMMGLNHTQDQ-IJMHTTBWSA-N
• XLogP: 7.78
• TPSA: 59.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.82
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine (CID 145032816) is (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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(N4CCCCC4)cccc3[nH]2)n[nH]/c1=C/C)NC(=C)CC1CCCCC1.

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

The InChIKey is OOCDMMGLNHTQDQ-IJMHTTBWSA-N. The full InChI is InChI=1S/C37H47N5/c1-6-29(24-30(7-2)38-27(5)23-28-16-11-9-12-17-28)26(4)22-32-33(8-3)40-41-37(32)35-25-31-34(39-35)18-15-19-36(31)42-20-13-10-14-21-42/h6-8,15,18-19,22,24-25,28,38-40H,2,4-5,9-14,16-17,20-21,23H2,1,3H3/b29-6+,30-24+,32-22+,33-8+.

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

(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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 561.82 g/mol, XLogP of 7.78, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-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 145032816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).