N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide

C23H30N4O2 — CID 24817735

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C23H30N4O2/c1-23(2)14-19(25-21(28)10-6-12-26-13-7-11-22(26)29)18-16-24-27(20(18)15-23)17-8-4-3-5-9-17/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3,(H,25,28)
InChIKeyOLDDXAFZLJWRBP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.40
Rot. Bonds6

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 24817735) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID24817735
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C23H30N4O2/c1-23(2)14-19(25-21(28)10-6-12-26-13-7-11-22(26)29)18-16-24-27(20(18)15-23)17-8-4-3-5-9-17/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3,(H,25,28)
InChIKeyOLDDXAFZLJWRBP-UHFFFAOYSA-N
XLogP3.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethyl-3-pyrazolecarboxamide
CID 24792000
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-pyrazinyl)propanamide
CID 24792097
N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269261
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309042
1-cyclopropyl-4-[({[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-2-pyrrolidinone
CID 16187256
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
N-cyclohexyl-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide
CID 20885377
4-(5-Methyl-1H-indazol-1-YL)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 22510125
N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
CID 22510145
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-butenamide
CID 23723377

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide (CID 24817735) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide is CC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCCN2CCCC2=O)C1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is OLDDXAFZLJWRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(2)14-19(25-21(28)10-6-12-26-13-7-11-22(26)29)18-16-24-27(20(18)15-23)17-8-4-3-5-9-17/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3,(H,25,28).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 394.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 24817735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).