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

C19H17FN4O — CID 71540044

IUPAC3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(N)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H17FN4O/c1-23-10-14(9-22-23)12-6-7-13(16(20)8-12)11-24-17-5-3-2-4-15(17)18(21)19(24)25/h2-10,18H,11,21H2,1H3
InChIKeyJNEFKZLJQABSCW-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.77
Rot. Bonds3

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

3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one (PubChem CID 71540044) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
PubChem CID71540044
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C(N)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H17FN4O/c1-23-10-14(9-22-23)12-6-7-13(16(20)8-12)11-24-17-5-3-2-4-15(17)18(21)19(24)25/h2-10,18H,11,21H2,1H3
InChIKeyJNEFKZLJQABSCW-UHFFFAOYSA-N
XLogP2.77
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one (CID 71540044) is 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one is Cn1cc(-c2ccc(CN3C(=O)C(N)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
The InChIKey is JNEFKZLJQABSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-23-10-14(9-22-23)12-6-7-13(16(20)8-12)11-24-17-5-3-2-4-15(17)18(21)19(24)25/h2-10,18H,11,21H2,1H3.
What are the key properties of 3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one?
3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one has a molecular weight of 336.37 g/mol, XLogP of 2.77, 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]-3H-indol-2-one is sourced from PubChem (CID 71540044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).