(Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide

C23H34F3N7O2 — CID 178058165

IUPAC(Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide
SMILESC/C=C\C(=C/N(C)C=O)c1cc(C(F)(F)F)nn1CC(C)(C)NC(=O)C(CC(=C/N)/C=N/C)NC
InChIInChI=1S/C23H34F3N7O2/c1-7-8-17(13-32(6)15-34)19-10-20(23(24,25)26)31-33(19)14-22(2,3)30-21(35)18(29-5)9-16(11-27)12-28-4/h7-8,10-13,15,18,29H,9,14,27H2,1-6H3,(H,30,35)/b8-7-,16-11-,17-13+,28-12+
InChIKeyWJKHHAXJQGRUEA-LAQXVZKESA-N
MW497.57 g/mol
LogP2.32
Rot. Bonds12

About (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide

(Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide (PubChem CID 178058165) has the molecular formula C23H34F3N7O2 and a molecular weight of 497.57 g/mol. Its IUPAC name is (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide.

Molecular Properties

Compound Name(Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide
PubChem CID178058165
Molecular FormulaC23H34F3N7O2
Molecular Weight497.57 g/mol
Exact Mass497.27
IUPAC Name(Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide
SMILESC/C=C\C(=C/N(C)C=O)c1cc(C(F)(F)F)nn1CC(C)(C)NC(=O)C(CC(=C/N)/C=N/C)NC
InChIInChI=1S/C23H34F3N7O2/c1-7-8-17(13-32(6)15-34)19-10-20(23(24,25)26)31-33(19)14-22(2,3)30-21(35)18(29-5)9-16(11-27)12-28-4/h7-8,10-13,15,18,29H,9,14,27H2,1-6H3,(H,30,35)/b8-7-,16-11-,17-13+,28-12+
InChIKeyWJKHHAXJQGRUEA-LAQXVZKESA-N
XLogP2.32
TPSA117.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide?
The IUPAC name of (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide (CID 178058165) is (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide.
What is the SMILES notation for (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide?
The canonical SMILES for (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide is C/C=C\C(=C/N(C)C=O)c1cc(C(F)(F)F)nn1CC(C)(C)NC(=O)C(CC(=C/N)/C=N/C)NC.
What is the InChIKey of (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide?
The InChIKey is WJKHHAXJQGRUEA-LAQXVZKESA-N. The full InChI is InChI=1S/C23H34F3N7O2/c1-7-8-17(13-32(6)15-34)19-10-20(23(24,25)26)31-33(19)14-22(2,3)30-21(35)18(29-5)9-16(11-27)12-28-4/h7-8,10-13,15,18,29H,9,14,27H2,1-6H3,(H,30,35)/b8-7-,16-11-,17-13+,28-12+.
What are the key properties of (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide?
(Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide has a molecular weight of 497.57 g/mol, XLogP of 2.32, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-N-[1-[5-[(1E,3Z)-1-[formyl(methyl)amino]penta-1,3-dien-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-2-(methylamino)-4-(methyliminomethyl)pent-4-enamide is sourced from PubChem (CID 178058165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).