3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one

C20H17F2N3O2 — CID 71540147

IUPAC3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(O)(CF)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O2/c1-24-10-15(9-23-24)13-6-7-14(17(22)8-13)11-25-18-5-3-2-4-16(18)20(27,12-21)19(25)26/h2-10,27H,11-12H2,1H3
InChIKeyGSNNQQBRBAXDSU-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.93
Rot. Bonds4

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

3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one (PubChem CID 71540147) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one
PubChem CID71540147
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(O)(CF)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O2/c1-24-10-15(9-23-24)13-6-7-14(17(22)8-13)11-25-18-5-3-2-4-16(18)20(27,12-21)19(25)26/h2-10,27H,11-12H2,1H3
InChIKeyGSNNQQBRBAXDSU-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one?
The IUPAC name of 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one (CID 71540147) is 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one?
The canonical SMILES for 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one is Cn1cc(-c2ccc(CN3C(=O)C(O)(CF)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one?
The InChIKey is GSNNQQBRBAXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-24-10-15(9-23-24)13-6-7-14(17(22)8-13)11-25-18-5-3-2-4-16(18)20(27,12-21)19(25)26/h2-10,27H,11-12H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one?
3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one has a molecular weight of 369.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 71540147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).