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

C21H20FN3O2 — CID 71570486

IUPAC1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole]
SMILESCn1cc(-c2ccc(CN3CC4(OCCO4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H20FN3O2/c1-24-12-17(11-23-24)15-6-7-16(19(22)10-15)13-25-14-21(26-8-9-27-21)18-4-2-3-5-20(18)25/h2-7,10-12H,8-9,13-14H2,1H3
InChIKeyWGGGPDGYZIHDGQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.45
Rot. Bonds3

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

1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole] (PubChem CID 71570486) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole].

Molecular Properties

Compound Name1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole]
PubChem CID71570486
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole]
SMILESCn1cc(-c2ccc(CN3CC4(OCCO4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H20FN3O2/c1-24-12-17(11-23-24)15-6-7-16(19(22)10-15)13-25-14-21(26-8-9-27-21)18-4-2-3-5-20(18)25/h2-7,10-12H,8-9,13-14H2,1H3
InChIKeyWGGGPDGYZIHDGQ-UHFFFAOYSA-N
XLogP3.45
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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'-2H-indole]?
The IUPAC name of 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole] (CID 71570486) is 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole].
What is the SMILES notation for 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole]?
The canonical SMILES for 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole] is Cn1cc(-c2ccc(CN3CC4(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'-2H-indole]?
The InChIKey is WGGGPDGYZIHDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-24-12-17(11-23-24)15-6-7-16(19(22)10-15)13-25-14-21(26-8-9-27-21)18-4-2-3-5-20(18)25/h2-7,10-12H,8-9,13-14H2,1H3.
What are the key properties of 1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole]?
1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-2H-indole] has a molecular weight of 365.41 g/mol, XLogP of 3.45, 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'-2H-indole] is sourced from PubChem (CID 71570486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).