N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide

C24H31FN4O2 — CID 24817008

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCCN2CCCCC2=O)C1
InChIInChI=1S/C24H31FN4O2/c1-24(2)14-20(27-22(30)6-5-13-28-12-4-3-7-23(28)31)19-16-26-29(21(19)15-24)18-10-8-17(25)9-11-18/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,27,30)
InChIKeyMUBHWQLRPNFAPO-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.93
Rot. Bonds6

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

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 24817008) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID24817008
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCCN2CCCCC2=O)C1
InChIInChI=1S/C24H31FN4O2/c1-24(2)14-20(27-22(30)6-5-13-28-12-4-3-7-23(28)31)19-16-26-29(21(19)15-24)18-10-8-17(25)9-11-18/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,27,30)
InChIKeyMUBHWQLRPNFAPO-UHFFFAOYSA-N
XLogP3.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide (CID 24817008) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCCN2CCCCC2=O)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is MUBHWQLRPNFAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-24(2)14-20(27-22(30)6-5-13-28-12-4-3-7-23(28)31)19-16-26-29(21(19)15-24)18-10-8-17(25)9-11-18/h8-11,16,20H,3-7,12-15H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 426.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 24817008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).