5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C22H23F2N5OS — CID 166475276

IUPAC5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESNc1cc(N2CCC3=C(SC(c4ccc(N5CCCC(F)C5)nc4)N3)C2=O)ccc1F
InChIInChI=1S/C22H23F2N5OS/c23-14-2-1-8-28(12-14)19-6-3-13(11-26-19)21-27-18-7-9-29(22(30)20(18)31-21)15-4-5-16(24)17(25)10-15/h3-6,10-11,14,21,27H,1-2,7-9,12,25H2
InChIKeyUIBJYKKPRGSYJS-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.72
Rot. Bonds3

About 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475276) has the molecular formula C22H23F2N5OS and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475276
Molecular FormulaC22H23F2N5OS
Molecular Weight443.52 g/mol
Exact Mass443.16
IUPAC Name5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESNc1cc(N2CCC3=C(SC(c4ccc(N5CCCC(F)C5)nc4)N3)C2=O)ccc1F
InChIInChI=1S/C22H23F2N5OS/c23-14-2-1-8-28(12-14)19-6-3-13(11-26-19)21-27-18-7-9-29(22(30)20(18)31-21)15-4-5-16(24)17(25)10-15/h3-6,10-11,14,21,27H,1-2,7-9,12,25H2
InChIKeyUIBJYKKPRGSYJS-UHFFFAOYSA-N
XLogP3.72
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

2-((4-Oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-phenylpyridin-2-yl)acetamide
CID 71601111
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 71601251
3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-{2-oxo-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-ethyl}-propionamide
CID 44338073
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 71601252
[3-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]anilino]-3-oxopropyl] N-(pyridin-3-ylmethyl)carbamodithioate
CID 155511649
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-3-carboxamide
CID 134800256
N-(2,4-difluorophenyl)-2-((2-oxo-1-(pyridin-3-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032909
3-(2,4-Difluorophenyl)-1-{[2-(thiomorpholin-4-YL)pyridin-4-YL]methyl}urea
CID 50830237
N-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]-2-[[5-(6,7-dihydroquinolin-6-yl)-2,3-dihydrothiophen-2-yl]methylamino]pyridine-3-carboxamide
CID 178255147
N-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]-2-[[5-[4-(dimethylamino)-6,7-dihydroquinazolin-6-yl]-2,3-dihydrothiophen-2-yl]methylamino]pyridine-3-carboxamide
CID 178255154
2-(benzylthio)-N-((1-(pyridin-2-yl)piperidin-4-yl)methyl)acetamide
CID 49687563
1-Phenyl-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830217

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475276) is 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Nc1cc(N2CCC3=C(SC(c4ccc(N5CCCC(F)C5)nc4)N3)C2=O)ccc1F.
What is the InChIKey of 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is UIBJYKKPRGSYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5OS/c23-14-2-1-8-28(12-14)19-6-3-13(11-26-19)21-27-18-7-9-29(22(30)20(18)31-21)15-4-5-16(24)17(25)10-15/h3-6,10-11,14,21,27H,1-2,7-9,12,25H2.
What are the key properties of 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 443.52 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).