1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one

C19H16FN3O — CID 71533547

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H16FN3O/c1-22-11-16(10-21-22)13-6-7-15(17(20)8-13)12-23-18-5-3-2-4-14(18)9-19(23)24/h2-8,10-11H,9,12H2,1H3
InChIKeyAWGNMEAIKYCZDE-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.32
Rot. Bonds3

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

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one (PubChem CID 71533547) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
PubChem CID71533547
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H16FN3O/c1-22-11-16(10-21-22)13-6-7-15(17(20)8-13)12-23-18-5-3-2-4-14(18)9-19(23)24/h2-8,10-11H,9,12H2,1H3
InChIKeyAWGNMEAIKYCZDE-UHFFFAOYSA-N
XLogP3.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one (CID 71533547) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one is Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
The InChIKey is AWGNMEAIKYCZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-22-11-16(10-21-22)13-6-7-15(17(20)8-13)12-23-18-5-3-2-4-14(18)9-19(23)24/h2-8,10-11H,9,12H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one has a molecular weight of 321.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one is sourced from PubChem (CID 71533547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).