(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one

C19H22FN3O2S — CID 167004173

IUPAC(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@@H](Sc3ccc(OCC(C)(C)F)nc3)C2=O)cn1
InChIInChI=1S/C19H22FN3O2S/c1-13-4-5-14(10-21-13)23-9-8-16(18(23)24)26-15-6-7-17(22-11-15)25-12-19(2,3)20/h4-7,10-11,16H,8-9,12H2,1-3H3/t16-/m1/s1
InChIKeyNVWVEBUZMYQSJM-MRXNPFEDSA-N
MW375.47 g/mol
LogP3.81
Rot. Bonds6

About (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one

(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 167004173) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
PubChem CID167004173
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@@H](Sc3ccc(OCC(C)(C)F)nc3)C2=O)cn1
InChIInChI=1S/C19H22FN3O2S/c1-13-4-5-14(10-21-13)23-9-8-16(18(23)24)26-15-6-7-17(22-11-15)25-12-19(2,3)20/h4-7,10-11,16H,8-9,12H2,1-3H3/t16-/m1/s1
InChIKeyNVWVEBUZMYQSJM-MRXNPFEDSA-N
XLogP3.81
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one with MolForge

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Related Compounds

(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]oxy]-1-[2-(3-propan-2-ylsulfanylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one
CID 167004103
3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one;methyl-methylidene-oxo-pentan-3-yl-λ6-sulfane
CID 142414605
2,2-difluorobutane;3-[(6-methyl-3-pyridinyl)oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one;3-methylsulfonylpentane
CID 142414602
1-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxylic acid
CID 135306694
1-methyl-3-(6-methyl-3-pyridinyl)imidazolidin-2-one
CID 170445532
1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 91323687
1-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide
CID 135306629
4-[1-[5-[(3R)-3-[[6-(2,2-difluoropropoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidin-3-yl]-1H-1,2,4-triazol-5-one
CID 167004120
1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-one
CID 126651580
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 143688906
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56556000

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one (CID 167004173) is (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one is Cc1ccc(N2CC[C@@H](Sc3ccc(OCC(C)(C)F)nc3)C2=O)cn1.
What is the InChIKey of (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is NVWVEBUZMYQSJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-13-4-5-14(10-21-13)23-9-8-16(18(23)24)26-15-6-7-17(22-11-15)25-12-19(2,3)20/h4-7,10-11,16H,8-9,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]sulfanyl]-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 167004173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).