N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C26H26N4O3 — CID 25370066

IUPACN-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H26N4O3/c1-16-8-4-7-11-21(16)30-22-13-26(2,3)12-20(19(22)14-27-30)28-23(31)15-29-24(32)17-9-5-6-10-18(17)25(29)33/h4-11,14,20H,12-13,15H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyWEUQRZHAOQBPFG-HXUWFJFHSA-N
MW442.52 g/mol
LogP3.61
Rot. Bonds4

About N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 25370066) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID25370066
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H26N4O3/c1-16-8-4-7-11-21(16)30-22-13-26(2,3)12-20(19(22)14-27-30)28-23(31)15-29-24(32)17-9-5-6-10-18(17)25(29)33/h4-11,14,20H,12-13,15H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyWEUQRZHAOQBPFG-HXUWFJFHSA-N
XLogP3.61
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide
CID 26327369
N'-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-N-propyloxamide
CID 72853657
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 24791220
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817088
N-(furan-3-ylmethyl)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-amine
CID 45208161
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42148100
N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
CID 97156493
2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol
CID 25478017
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 24818901
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
(4S)-6,6-dimethyl-1-(2-methylphenyl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 26332183

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 25370066) is N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is WEUQRZHAOQBPFG-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-16-8-4-7-11-21(16)30-22-13-26(2,3)12-20(19(22)14-27-30)28-23(31)15-29-24(32)17-9-5-6-10-18(17)25(29)33/h4-11,14,20H,12-13,15H2,1-3H3,(H,28,31)/t20-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 25370066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).