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

C24H32N4O2 — CID 42216860

IUPACN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCCN2CCCC2=O)cc1
InChIInChI=1S/C24H32N4O2/c1-17-8-10-18(11-9-17)28-21-15-24(2,3)14-20(19(21)16-25-28)26-22(29)6-4-12-27-13-5-7-23(27)30/h8-11,16,20H,4-7,12-15H2,1-3H3,(H,26,29)/t20-/m1/s1
InChIKeyDUMYOTOCLLTAEB-HXUWFJFHSA-N
MW408.55 g/mol
LogP3.71
Rot. Bonds6

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

N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 42216860) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID42216860
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCCN2CCCC2=O)cc1
InChIInChI=1S/C24H32N4O2/c1-17-8-10-18(11-9-17)28-21-15-24(2,3)14-20(19(21)16-25-28)26-22(29)6-4-12-27-13-5-7-23(27)30/h8-11,16,20H,4-7,12-15H2,1-3H3,(H,26,29)/t20-/m1/s1
InChIKeyDUMYOTOCLLTAEB-HXUWFJFHSA-N
XLogP3.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 42216860) is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCCN2CCCC2=O)cc1.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is DUMYOTOCLLTAEB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-8-10-18(11-9-17)28-21-15-24(2,3)14-20(19(21)16-25-28)26-22(29)6-4-12-27-13-5-7-23(27)30/h8-11,16,20H,4-7,12-15H2,1-3H3,(H,26,29)/t20-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 408.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 42216860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).