(E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide

C23H24N4O — CID 29023361

IUPAC(E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide
SMILESCc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)/C=C/c2ccccn2)c1
InChIInChI=1S/C23H24N4O/c1-16-12-17(2)14-19(13-16)27-22-8-5-7-21(20(22)15-25-27)26-23(28)10-9-18-6-3-4-11-24-18/h3-4,6,9-15,21H,5,7-8H2,1-2H3,(H,26,28)/b10-9+/t21-/m0/s1
InChIKeyVWAILEXUMJAJKP-GLCJEOIMSA-N
MW372.47 g/mol
LogP4.09
Rot. Bonds4

About (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide

(E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 29023361) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide
PubChem CID29023361
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide
SMILESCc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)/C=C/c2ccccn2)c1
InChIInChI=1S/C23H24N4O/c1-16-12-17(2)14-19(13-16)27-22-8-5-7-21(20(22)15-25-27)26-23(28)10-9-18-6-3-4-11-24-18/h3-4,6,9-15,21H,5,7-8H2,1-2H3,(H,26,28)/b10-9+/t21-/m0/s1
InChIKeyVWAILEXUMJAJKP-GLCJEOIMSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97145523
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide
CID 45206380
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pent-4-enamide
CID 45247840
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-4-carboxamide
CID 24794037
3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 24790662
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77068373
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44819880
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 42455229
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45234636
2-(2,5-dimethoxyphenyl)-N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 42193500
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131899205

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide (CID 29023361) is (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide is Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)/C=C/c2ccccn2)c1.
What is the InChIKey of (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is VWAILEXUMJAJKP-GLCJEOIMSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-12-17(2)14-19(13-16)27-22-8-5-7-21(20(22)15-25-27)26-23(28)10-9-18-6-3-4-11-24-18/h3-4,6,9-15,21H,5,7-8H2,1-2H3,(H,26,28)/b10-9+/t21-/m0/s1.
What are the key properties of (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 29023361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).