(4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone

C19H22FN3O2 — CID 122133110

IUPAC(4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCc2c(F)cccc21
InChIInChI=1S/C19H22FN3O2/c1-12(2)23-17(6-9-21-23)18-14(8-11-25-18)19(24)22-10-7-13-15(20)4-3-5-16(13)22/h3-6,9,12,14,18H,7-8,10-11H2,1-2H3/t14-,18-/m0/s1
InChIKeySDOTULIAHLIXSS-KSSFIOAISA-N
MW343.40 g/mol
LogP3.27
Rot. Bonds3

About (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone

(4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone (PubChem CID 122133110) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone
PubChem CID122133110
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCc2c(F)cccc21
InChIInChI=1S/C19H22FN3O2/c1-12(2)23-17(6-9-21-23)18-14(8-11-25-18)19(24)22-10-7-13-15(20)4-3-5-16(13)22/h3-6,9,12,14,18H,7-8,10-11H2,1-2H3/t14-,18-/m0/s1
InChIKeySDOTULIAHLIXSS-KSSFIOAISA-N
XLogP3.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 164631091
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
CID 100652997
1-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
CID 100653011
1-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
CID 100653023
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
CID 100653034
1-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110154784
1-[(5S,7S,8R)-8-(3-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110154785
2-(4-fluorophenyl)-4-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]morpholine
CID 118764829
1-(3,4-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 121559192
(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 122146628
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124567869

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone?
The IUPAC name of (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone (CID 122133110) is (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone.
What is the SMILES notation for (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone?
The canonical SMILES for (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone is CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCc2c(F)cccc21.
What is the InChIKey of (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone?
The InChIKey is SDOTULIAHLIXSS-KSSFIOAISA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(2)23-17(6-9-21-23)18-14(8-11-25-18)19(24)22-10-7-13-15(20)4-3-5-16(13)22/h3-6,9,12,14,18H,7-8,10-11H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone?
(4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone is sourced from PubChem (CID 122133110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).