3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one

C20H19FN4O — CID 71540045

IUPAC3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(C)(N)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C20H19FN4O/c1-20(22)16-5-3-4-6-18(16)25(19(20)26)12-14-8-7-13(9-17(14)21)15-10-23-24(2)11-15/h3-11H,12,22H2,1-2H3
InChIKeyHNLZRNCTZZQAHS-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one

3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one (PubChem CID 71540045) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one.

Molecular Properties

Compound Name3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one
PubChem CID71540045
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(C)(N)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C20H19FN4O/c1-20(22)16-5-3-4-6-18(16)25(19(20)26)12-14-8-7-13(9-17(14)21)15-10-23-24(2)11-15/h3-11H,12,22H2,1-2H3
InChIKeyHNLZRNCTZZQAHS-UHFFFAOYSA-N
XLogP2.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one 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 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
The IUPAC name of 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one (CID 71540045) is 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one.
What is the SMILES notation for 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
The canonical SMILES for 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one is Cn1cc(-c2ccc(CN3C(=O)C(C)(N)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
The InChIKey is HNLZRNCTZZQAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-20(22)16-5-3-4-6-18(16)25(19(20)26)12-14-8-7-13(9-17(14)21)15-10-23-24(2)11-15/h3-11H,12,22H2,1-2H3.
What are the key properties of 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one has a molecular weight of 350.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one is sourced from PubChem (CID 71540045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).