(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine

C34H35N7 — CID 145034407

About (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine

(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine (PubChem CID 145034407) has the molecular formula C34H35N7 and a molecular weight of 541.70 g/mol. Its IUPAC name is (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine.

Molecular Properties

• Compound Name: (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
• PubChem CID: 145034407
• Molecular Formula: C34H35N7
• Molecular Weight: 541.70 g/mol
• Exact Mass: 541.30
• IUPAC Name: (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
• SMILES: C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccncc5)nccc4[nH]3)c2c1)NC(=C)CC1CCCCC1
• InChI: InChI=1S/C34H35N7/c1-4-24(20-27(5-2)37-22(3)19-23-9-7-6-8-10-23)26-11-12-29-28(21-26)32(41-40-29)34-38-30-15-18-36-31(33(30)39-34)25-13-16-35-17-14-25/h4-5,11-18,20-21,23,37H,2-3,6-10,19H2,1H3,(H,38,39)(H,40,41)/b24-4+,27-20+
• InChIKey: PLXJWWDSCMJRAS-GTAIZDFNSA-N
• XLogP: 8.11
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.70
LogP ≤ 5	8.11
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 (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine?

The IUPAC name of (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine (CID 145034407) is (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine.

What is the SMILES notation for (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine?

The canonical SMILES for (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine is C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccncc5)nccc4[nH]3)c2c1)NC(=C)CC1CCCCC1.

What is the InChIKey of (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine?

The InChIKey is PLXJWWDSCMJRAS-GTAIZDFNSA-N. The full InChI is InChI=1S/C34H35N7/c1-4-24(20-27(5-2)37-22(3)19-23-9-7-6-8-10-23)26-11-12-29-28(21-26)32(41-40-29)34-38-30-15-18-36-31(33(30)39-34)25-13-16-35-17-14-25/h4-5,11-18,20-21,23,37H,2-3,6-10,19H2,1H3,(H,38,39)(H,40,41)/b24-4+,27-20+.

What are the key properties of (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine?

(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine has a molecular weight of 541.70 g/mol, XLogP of 8.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 145034407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).