(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one

C17H12FN3OS — CID 51688044

IUPAC(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccnc2)c2snc(-c3cccc(F)c3)c2N1
InChIInChI=1S/C17H12FN3OS/c18-12-5-1-3-10(7-12)15-16-17(23-21-15)13(8-14(22)20-16)11-4-2-6-19-9-11/h1-7,9,13H,8H2,(H,20,22)/t13-/m1/s1
InChIKeyPTZKVLNATWWZTP-CYBMUJFWSA-N
MW325.37 g/mol
LogP3.82
Rot. Bonds2

About (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one

(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51688044) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
PubChem CID51688044
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccnc2)c2snc(-c3cccc(F)c3)c2N1
InChIInChI=1S/C17H12FN3OS/c18-12-5-1-3-10(7-12)15-16-17(23-21-15)13(8-14(22)20-16)11-4-2-6-19-9-11/h1-7,9,13H,8H2,(H,20,22)/t13-/m1/s1
InChIKeyPTZKVLNATWWZTP-CYBMUJFWSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one with MolForge

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Related Compounds

(7S)-3-(4-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688053
(7S)-3-(4-methoxyphenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688035
(7R)-3,7-bis(4-fluorophenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688636
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51971446
(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973916
7-(3,5-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811465
(7S)-7-(3-bromophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086462
3,7-bis(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047243
(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086391
3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811519
(7S)-7-(2,3-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688019
2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
CID 51688051

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one (CID 51688044) is (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is O=C1C[C@H](c2cccnc2)c2snc(-c3cccc(F)c3)c2N1.
What is the InChIKey of (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is PTZKVLNATWWZTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-12-5-1-3-10(7-12)15-16-17(23-21-15)13(8-14(22)20-16)11-4-2-6-19-9-11/h1-7,9,13H,8H2,(H,20,22)/t13-/m1/s1.
What are the key properties of (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one?
(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 325.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51688044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).