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

C22H23FN4O — CID 71620818

IUPAC3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one
SMILESCN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21
InChIInChI=1S/C22H23FN4O/c1-22(25(2)3)18-7-5-6-8-20(18)27(21(22)28)14-16-10-9-15(11-19(16)23)17-12-24-26(4)13-17/h5-13H,14H2,1-4H3
InChIKeyJZUIZVDFFRUFGS-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.55
Rot. Bonds4

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

3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one (PubChem CID 71620818) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one
PubChem CID71620818
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one
SMILESCN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21
InChIInChI=1S/C22H23FN4O/c1-22(25(2)3)18-7-5-6-8-20(18)27(21(22)28)14-16-10-9-15(11-19(16)23)17-12-24-26(4)13-17/h5-13H,14H2,1-4H3
InChIKeyJZUIZVDFFRUFGS-UHFFFAOYSA-N
XLogP3.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251554
1-(2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251556
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrazolo[4,3-c]quinolin-3-one
CID 118724611
N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055778
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
4-[2-[[(1R)-2-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzonitrile
CID 156017474
1-(2,3-Dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5307321
1-(2,3-Dihydroindol-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 9551373
1-methyl-N-{[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}-1H-pyrazole-5-carboxamide
CID 16033359
1-(2,6-difluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251555
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 145964712
3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)-1H-indol-2-one
CID 155537652

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
The IUPAC name of 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one (CID 71620818) is 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
The canonical SMILES for 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one is CN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21.
What is the InChIKey of 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
The InChIKey is JZUIZVDFFRUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-22(25(2)3)18-7-5-6-8-20(18)27(21(22)28)14-16-10-9-15(11-19(16)23)17-12-24-26(4)13-17/h5-13H,14H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one?
3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one has a molecular weight of 378.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methylindol-2-one is sourced from PubChem (CID 71620818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).