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

C21H25FN4O2 — CID 24818852

IUPACN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CN2CCCC2=O)C1
InChIInChI=1S/C21H25FN4O2/c1-21(2)10-17(24-19(27)13-25-8-4-7-20(25)28)16-12-23-26(18(16)11-21)15-6-3-5-14(22)9-15/h3,5-6,9,12,17H,4,7-8,10-11,13H2,1-2H3,(H,24,27)
InChIKeyNIUDXRUONYUMEC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.76
Rot. Bonds4

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

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 24818852) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID24818852
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CN2CCCC2=O)C1
InChIInChI=1S/C21H25FN4O2/c1-21(2)10-17(24-19(27)13-25-8-4-7-20(25)28)16-12-23-26(18(16)11-21)15-6-3-5-14(22)9-15/h3,5-6,9,12,17H,4,7-8,10-11,13H2,1-2H3,(H,24,27)
InChIKeyNIUDXRUONYUMEC-UHFFFAOYSA-N
XLogP2.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 24818852) is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CN2CCCC2=O)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is NIUDXRUONYUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-21(2)10-17(24-19(27)13-25-8-4-7-20(25)28)16-12-23-26(18(16)11-21)15-6-3-5-14(22)9-15/h3,5-6,9,12,17H,4,7-8,10-11,13H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 24818852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).