[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone

C20H17F2N3O2 — CID 99578618

IUPAC[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1cc(C)n(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H17F2N3O2/c1-12-9-17(23-25(12)19-5-3-14(21)11-16(19)22)20(26)24-8-7-13-10-15(27-2)4-6-18(13)24/h3-6,9-11H,7-8H2,1-2H3
InChIKeyIIYKAUUVGLBJSG-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.67
Rot. Bonds3

About [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone

[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone (PubChem CID 99578618) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone
PubChem CID99578618
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1cc(C)n(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H17F2N3O2/c1-12-9-17(23-25(12)19-5-3-14(21)11-16(19)22)20(26)24-8-7-13-10-15(27-2)4-6-18(13)24/h3-6,9-11H,7-8H2,1-2H3
InChIKeyIIYKAUUVGLBJSG-UHFFFAOYSA-N
XLogP3.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone (CID 99578618) is [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone is COc1ccc2c(c1)CCN2C(=O)c1cc(C)n(-c2ccc(F)cc2F)n1.
What is the InChIKey of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
The InChIKey is IIYKAUUVGLBJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12-9-17(23-25(12)19-5-3-14(21)11-16(19)22)20(26)24-8-7-13-10-15(27-2)4-6-18(13)24/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone has a molecular weight of 369.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 99578618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).