N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride

C58H63ClN6O2 — CID 169427992

About N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride

N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride (PubChem CID 169427992) has the molecular formula C58H63ClN6O2 and a molecular weight of 911.63 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride
• PubChem CID: 169427992
• Molecular Formula: C58H63ClN6O2
• Molecular Weight: 911.63 g/mol
• Exact Mass: 910.47
• IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride
• SMILES: CC(C)c1ccc2c(cnn2C)c1C(=O)Cl.Cc1ccc(CN(C(=O)c2c(C(C)C)ccc3c2cnn3C)C2Cc3ccccc3C2)cc1.Cc1ccc(CNC2Cc3ccccc3C2)cc1
• InChI: InChI=1S/C29H31N3O.C17H19N.C12H13ClN2O/c1-19(2)25-13-14-27-26(17-30-31(27)4)28(25)29(33)32(18-21-11-9-20(3)10-12-21)24-15-22-7-5-6-8-23(22)16-24;1-13-6-8-14(9-7-13)12-18-17-10-15-4-2-3-5-16(15)11-17;1-7(2)8-4-5-10-9(6-14-15(10)3)11(8)12(13)16/h5-14,17,19,24H,15-16,18H2,1-4H3;2-9,17-18H,10-12H2,1H3;4-7H,1-3H3
• InChIKey: OBDQFAQSEODPNH-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.63
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride?

The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride (CID 169427992) is N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride?

The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride is CC(C)c1ccc2c(cnn2C)c1C(=O)Cl.Cc1ccc(CN(C(=O)c2c(C(C)C)ccc3c2cnn3C)C2Cc3ccccc3C2)cc1.Cc1ccc(CNC2Cc3ccccc3C2)cc1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride?

The InChIKey is OBDQFAQSEODPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O.C17H19N.C12H13ClN2O/c1-19(2)25-13-14-27-26(17-30-31(27)4)28(25)29(33)32(18-21-11-9-20(3)10-12-21)24-15-22-7-5-6-8-23(22)16-24;1-13-6-8-14(9-7-13)12-18-17-10-15-4-2-3-5-16(15)11-17;1-7(2)8-4-5-10-9(6-14-15(10)3)11(8)12(13)16/h5-14,17,19,24H,15-16,18H2,1-4H3;2-9,17-18H,10-12H2,1H3;4-7H,1-3H3.

What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride?

N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride has a molecular weight of 911.63 g/mol, XLogP of 12.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylindazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;1-methyl-5-propan-2-ylindazole-4-carbonyl chloride is sourced from PubChem (CID 169427992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).