2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone

C20H17F2N3O — CID 71015320

IUPAC2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCn1ccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2F)n1
InChIInChI=1S/C20H17F2N3O/c1-24-9-8-17(23-24)13-5-6-18-14(11-13)7-10-25(18)19(26)12-15-3-2-4-16(21)20(15)22/h2-6,8-9,11H,7,10,12H2,1H3
InChIKeyJXJQQTPKWRQIHQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.50
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone

2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 71015320) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID71015320
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCn1ccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2F)n1
InChIInChI=1S/C20H17F2N3O/c1-24-9-8-17(23-24)13-5-6-18-14(11-13)7-10-25(18)19(26)12-15-3-2-4-16(21)20(15)22/h2-6,8-9,11H,7,10,12H2,1H3
InChIKeyJXJQQTPKWRQIHQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 71015740
1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 170188670
1-[5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-1-yl]-2-(2,3,5-trifluorophenyl)ethanone
CID 151944555
1-(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110737728
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 18206501
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 141312646
2-(2,4-difluorophenyl)sulfanyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 18280412
2-(3-chloro-5-fluorophenyl)-1-[5-(furan-2-yl)-2,3-dihydroindol-1-yl]ethanone
CID 71015470
N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811923
4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 177376101

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone (CID 71015320) is 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone is Cn1ccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2F)n1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is JXJQQTPKWRQIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-24-9-8-17(23-24)13-5-6-18-14(11-13)7-10-25(18)19(26)12-15-3-2-4-16(21)20(15)22/h2-6,8-9,11H,7,10,12H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 353.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 71015320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).