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

C21H21F2N5OS — CID 166475236

IUPAC5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESNc1cc(N2CCC3=C(SC(c4ccc(N5CCC(F)C5)nc4)N3)C2=O)ccc1F
InChIInChI=1S/C21H21F2N5OS/c22-13-5-7-27(11-13)18-4-1-12(10-25-18)20-26-17-6-8-28(21(29)19(17)30-20)14-2-3-15(23)16(24)9-14/h1-4,9-10,13,20,26H,5-8,11,24H2
InChIKeyQOPYTQOLPRHCFY-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.33
Rot. Bonds3

About 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-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-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475236) has the molecular formula C21H21F2N5OS and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-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-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475236
Molecular FormulaC21H21F2N5OS
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESNc1cc(N2CCC3=C(SC(c4ccc(N5CCC(F)C5)nc4)N3)C2=O)ccc1F
InChIInChI=1S/C21H21F2N5OS/c22-13-5-7-27(11-13)18-4-1-12(10-25-18)20-26-17-6-8-28(21(29)19(17)30-20)14-2-3-15(23)16(24)9-14/h1-4,9-10,13,20,26H,5-8,11,24H2
InChIKeyQOPYTQOLPRHCFY-UHFFFAOYSA-N
XLogP3.33
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.33
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-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-(3-fluoro-4-methylphenyl)-2-((4-(pyrrolidin-1-yl)pyrimidin-2-yl)thio)acetamide
CID 49663275
2-((4-fluorophenyl)thio)-N-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)acetamide
CID 76148936
N-[(S)-1-[5-(trifluoromethyl)-2-pyridyl]-3-pyrrolidinyl](cyclopentylthio)acetamide
CID 99874819
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-(4-pyrrolidin-1-yl-6,7-dihydroquinazolin-6-yl)-2,3-dihydrothiophen-2-yl]methylamino]pyridine-3-carboxamide
CID 178255158
N-(3,4-difluorophenyl)-2-({2-oxo-1-[(pyridin-3-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide
CID 26843646
N-(2,5-Difluorophenyl)-N'-{[2-(1,4-thiazinan-4-YL)-4-pyridyl]methyl}urea
CID 50830180
2-((4-fluorobenzyl)thio)-6-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 135952667
4-ethyl-2-[6-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136228324
3-(4-fluorophenyl)-5-pyridin-3-yl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 155807187

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-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-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475236) is 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-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-fluoropyrrolidin-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-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Nc1cc(N2CCC3=C(SC(c4ccc(N5CCC(F)C5)nc4)N3)C2=O)ccc1F.
What is the InChIKey of 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is QOPYTQOLPRHCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5OS/c22-13-5-7-27(11-13)18-4-1-12(10-25-18)20-26-17-6-8-28(21(29)19(17)30-20)14-2-3-15(23)16(24)9-14/h1-4,9-10,13,20,26H,5-8,11,24H2.
What are the key properties of 5-(3-amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-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-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 429.50 g/mol, XLogP of 3.33, 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-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).