1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C21H18FN3O3 — CID 71599959

IUPAC1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H18FN3O3/c1-24-12-16(11-23-24)14-6-7-15(18(22)10-14)13-25-19-5-3-2-4-17(19)21(20(25)26)27-8-9-28-21/h2-7,10-12H,8-9,13H2,1H3
InChIKeyLUQMRFHPCPWDMX-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.97
Rot. Bonds3

About 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 71599959) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID71599959
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H18FN3O3/c1-24-12-16(11-23-24)14-6-7-15(18(22)10-14)13-25-19-5-3-2-4-17(19)21(20(25)26)27-8-9-28-21/h2-7,10-12H,8-9,13H2,1H3
InChIKeyLUQMRFHPCPWDMX-UHFFFAOYSA-N
XLogP2.97
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one with MolForge

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Related Compounds

(3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 71570632
1'-acetyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71571062
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(1-fluoro-2-phenylethyl)-3-hydroxyindol-2-one
CID 90274758
1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71570921
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 159558636
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-1'-(1-propan-2-ylpiperidin-4-yl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 163893777
4-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-1,4-benzoxazin-3-one
CID 147222142
3-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)-3-propylphenyl]methyl]-3-(methylaminomethyl)indol-2-one
CID 123368041
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
CID 146216714
5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
CID 146205456
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177

Frequently Asked Questions

What is the IUPAC name of 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 71599959) is 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is LUQMRFHPCPWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-24-12-16(11-23-24)14-6-7-15(18(22)10-14)13-25-19-5-3-2-4-17(19)21(20(25)26)27-8-9-28-21/h2-7,10-12H,8-9,13H2,1H3.
What are the key properties of 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 379.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 71599959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).