(E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide

C82H74Cl6N10O3 — CID 158711516

About (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide

(E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide (PubChem CID 158711516) has the molecular formula C82H74Cl6N10O3 and a molecular weight of 1460.28 g/mol. Its IUPAC name is (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide
• PubChem CID: 158711516
• Molecular Formula: C82H74Cl6N10O3
• Molecular Weight: 1460.28 g/mol
• Exact Mass: 1456.41
• IUPAC Name: (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide
• SMILES: CC(NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(Cl)cc1)c1ccccn1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(Cl)cc1)c1ccccc1.C[C@H](NC(=O)/C=C/c1nn(Cc2ccccc2)c2c1CCCC2)c1ccccc1
• InChI: InChI=1S/C29H24Cl3N3O.C28H23Cl3N4O.C25H27N3O/c1-18(20-6-3-2-4-7-20)33-29(36)27-24-9-5-8-21(16-19-10-12-22(30)13-11-19)28(24)35(34-27)26-15-14-23(31)17-25(26)32;1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-10-20(29)11-9-18)27(22)35(34-26)25-13-12-21(30)16-23(25)31;1-19(21-12-6-3-7-13-21)26-25(29)17-16-23-22-14-8-9-15-24(22)28(27-23)18-20-10-4-2-5-11-20/h2-4,6-7,10-18H,5,8-9H2,1H3,(H,33,36);2-3,7-17H,4-6H2,1H3,(H,33,36);2-7,10-13,16-17,19H,8-9,14-15,18H2,1H3,(H,26,29)/b21-16+;19-15+;17-16+/t18-;;19-/m1.0/s1
• InChIKey: IIUBZCXGBJANOM-IINWWCONSA-N
• XLogP: 20.50
• TPSA: 153.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1460.28
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide?

The IUPAC name of (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide (CID 158711516) is (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide.

What is the SMILES notation for (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide?

The canonical SMILES for (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide is CC(NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(Cl)cc1)c1ccccn1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(Cl)cc1)c1ccccc1.C[C@H](NC(=O)/C=C/c1nn(Cc2ccccc2)c2c1CCCC2)c1ccccc1.

What is the InChIKey of (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide?

The InChIKey is IIUBZCXGBJANOM-IINWWCONSA-N. The full InChI is InChI=1S/C29H24Cl3N3O.C28H23Cl3N4O.C25H27N3O/c1-18(20-6-3-2-4-7-20)33-29(36)27-24-9-5-8-21(16-19-10-12-22(30)13-11-19)28(24)35(34-27)26-15-14-23(31)17-25(26)32;1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-10-20(29)11-9-18)27(22)35(34-26)25-13-12-21(30)16-23(25)31;1-19(21-12-6-3-7-13-21)26-25(29)17-16-23-22-14-8-9-15-24(22)28(27-23)18-20-10-4-2-5-11-20/h2-4,6-7,10-18H,5,8-9H2,1H3,(H,33,36);2-3,7-17H,4-6H2,1H3,(H,33,36);2-7,10-13,16-17,19H,8-9,14-15,18H2,1H3,(H,26,29)/b21-16+;19-15+;17-16+/t18-;;19-/m1.0/s1.

What are the key properties of (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide?

(E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide has a molecular weight of 1460.28 g/mol, XLogP of 20.50, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(1-benzyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 158711516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).