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

C23H30N4O2 — CID 42459358

IUPACN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](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)/t19-/m0/s1
InChIKeyOLDDXAFZLJWRBP-IBGZPJMESA-N
MW394.52 g/mol
LogP3.40
Rot. Bonds6

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

N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 42459358) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID42459358
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](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)/t19-/m0/s1
InChIKeyOLDDXAFZLJWRBP-IBGZPJMESA-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

Analyze N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 42459358) is N-[(4S)-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-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(4S)-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@@H](NC(=O)CCCN2CCCC2=O)C1.
What is the InChIKey of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is OLDDXAFZLJWRBP-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(4S)-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-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 42459358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).