(2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine

C29H31N5 — CID 144667639

About (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine

(2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine (PubChem CID 144667639) has the molecular formula C29H31N5 and a molecular weight of 449.60 g/mol. Its IUPAC name is (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

• Compound Name: (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine
• PubChem CID: 144667639
• Molecular Formula: C29H31N5
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.26
• IUPAC Name: (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine
• SMILES: C=C/C=C(/CN(C)C)c1nc(-c2n[nH]c3ccc(/C(=C/C)c4ccccc4C=C)cc23)[nH]c1C
• InChI: InChI=1S/C29H31N5/c1-7-12-22(18-34(5)6)27-19(4)30-29(31-27)28-25-17-21(15-16-26(25)32-33-28)23(9-3)24-14-11-10-13-20(24)8-2/h7-17H,1-2,18H2,3-6H3,(H,30,31)(H,32,33)/b22-12-,23-9-
• InChIKey: MZVDQZFUQJMCKV-TXQQTTNISA-N
• XLogP: 6.49
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
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 (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine?

The IUPAC name of (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine (CID 144667639) is (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine.

What is the SMILES notation for (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine?

The canonical SMILES for (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine is C=C/C=C(/CN(C)C)c1nc(-c2n[nH]c3ccc(/C(=C/C)c4ccccc4C=C)cc23)[nH]c1C.

What is the InChIKey of (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine?

The InChIKey is MZVDQZFUQJMCKV-TXQQTTNISA-N. The full InChI is InChI=1S/C29H31N5/c1-7-12-22(18-34(5)6)27-19(4)30-29(31-27)28-25-17-21(15-16-26(25)32-33-28)23(9-3)24-14-11-10-13-20(24)8-2/h7-17H,1-2,18H2,3-6H3,(H,30,31)(H,32,33)/b22-12-,23-9-.

What are the key properties of (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine?

(2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine has a molecular weight of 449.60 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 144667639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).