7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

C21H23FN4O2 — CID 139019972

IUPAC7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCn1nccc1C1CC2CCC(C1)N2C(=O)CC1C(=O)Nc2c(F)cccc21
InChIInChI=1S/C21H23FN4O2/c1-25-18(7-8-23-25)12-9-13-5-6-14(10-12)26(13)19(27)11-16-15-3-2-4-17(22)20(15)24-21(16)28/h2-4,7-8,12-14,16H,5-6,9-11H2,1H3,(H,24,28)
InChIKeyRPCYJWBYOGTALN-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.92
Rot. Bonds3

About 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 139019972) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID139019972
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCn1nccc1C1CC2CCC(C1)N2C(=O)CC1C(=O)Nc2c(F)cccc21
InChIInChI=1S/C21H23FN4O2/c1-25-18(7-8-23-25)12-9-13-5-6-14(10-12)26(13)19(27)11-16-15-3-2-4-17(22)20(15)24-21(16)28/h2-4,7-8,12-14,16H,5-6,9-11H2,1H3,(H,24,28)
InChIKeyRPCYJWBYOGTALN-UHFFFAOYSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483826
6-cyclopropyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 150506736
6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151438935
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
(6S)-6-methyl-3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166627192
(6S)-6-methyl-3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166630587
1-[2-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-benzyl]-1,3-dihydro-indol-2-one
CID 71533547
3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
CID 71540044
1'-Cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71568899
1'-Cyclopentyl-1-[[2,6-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71568900
1'-Cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71569052
1-(2-fluoro-4-(1-Methyl-1H-pyrazol-4-yl)benzyl)-1'-Methylspiro[indoline-3,3'-pyrrolidin]-2-one
CID 71570627

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (CID 139019972) is 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is Cn1nccc1C1CC2CCC(C1)N2C(=O)CC1C(=O)Nc2c(F)cccc21.
What is the InChIKey of 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is RPCYJWBYOGTALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-25-18(7-8-23-25)12-9-13-5-6-14(10-12)26(13)19(27)11-16-15-3-2-4-17(22)20(15)24-21(16)28/h2-4,7-8,12-14,16H,5-6,9-11H2,1H3,(H,24,28).
What are the key properties of 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 382.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 139019972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).