3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one

C21H21FN4O — CID 71623017

IUPAC3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one
SMILESCCn1cc(-c2ccc(CN3C(=O)C(C)(N)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H21FN4O/c1-3-25-12-16(11-24-25)14-8-9-15(18(22)10-14)13-26-19-7-5-4-6-17(19)21(2,23)20(26)27/h4-12H,3,13,23H2,1-2H3
InChIKeyLGNOOVFEFVJFOX-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.43
Rot. Bonds4

About 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one

3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one (PubChem CID 71623017) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one.

Molecular Properties

Compound Name3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one
PubChem CID71623017
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one
SMILESCCn1cc(-c2ccc(CN3C(=O)C(C)(N)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H21FN4O/c1-3-25-12-16(11-24-25)14-8-9-15(18(22)10-14)13-26-19-7-5-4-6-17(19)21(2,23)20(26)27/h4-12H,3,13,23H2,1-2H3
InChIKeyLGNOOVFEFVJFOX-UHFFFAOYSA-N
XLogP3.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-(4-{(3s,4r)-4-(Dimethylamino)-1-[(2-Fluoro-6-Methylphenyl)methyl]pyrrolidin-3-Yl}phenyl)-1h-Pyrazol-1-Yl]acetamide
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N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
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N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
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4-[2-[[(1R)-2-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzonitrile
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CID 156600435
6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
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(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(1H-pyrazol-1-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895811

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one?
The IUPAC name of 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one (CID 71623017) is 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one.
What is the SMILES notation for 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one?
The canonical SMILES for 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one is CCn1cc(-c2ccc(CN3C(=O)C(C)(N)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one?
The InChIKey is LGNOOVFEFVJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-3-25-12-16(11-24-25)14-8-9-15(18(22)10-14)13-26-19-7-5-4-6-17(19)21(2,23)20(26)27/h4-12H,3,13,23H2,1-2H3.
What are the key properties of 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one?
3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one has a molecular weight of 364.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylindol-2-one is sourced from PubChem (CID 71623017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).