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

C20H20FN5OS — CID 171488983

IUPAC2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1C2=C(CCN1c1cccnc1)NC(c1ccc(N3CCCC3)nc1F)S2
InChIInChI=1S/C20H20FN5OS/c21-18-14(5-6-16(24-18)25-9-1-2-10-25)19-23-15-7-11-26(20(27)17(15)28-19)13-4-3-8-22-12-13/h3-6,8,12,19,23H,1-2,7,9-11H2
InChIKeyGRYYANIJVHLMRA-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.20
Rot. Bonds3

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

2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 171488983) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID171488983
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1C2=C(CCN1c1cccnc1)NC(c1ccc(N3CCCC3)nc1F)S2
InChIInChI=1S/C20H20FN5OS/c21-18-14(5-6-16(24-18)25-9-1-2-10-25)19-23-15-7-11-26(20(27)17(15)28-19)13-4-3-8-22-12-13/h3-6,8,12,19,23H,1-2,7,9-11H2
InChIKeyGRYYANIJVHLMRA-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-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-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 71601251
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740696
N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848750
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 11848968
8-Cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one
CID 58299906
2',3'-d]Imidazol-6-one
CID 396076
US10800792, Example 698
CID 155921465
N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(6-(isopropylamino)-4-methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
CID 156600786
N-[6-(diethylamino)-3-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53498715
N-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53499290
N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53499734
2-((4-fluorophenyl)thio)-N-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)acetamide
CID 76148936

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 171488983) is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1C2=C(CCN1c1cccnc1)NC(c1ccc(N3CCCC3)nc1F)S2.
What is the InChIKey of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is GRYYANIJVHLMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-18-14(5-6-16(24-18)25-9-1-2-10-25)19-23-15-7-11-26(20(27)17(15)28-19)13-4-3-8-22-12-13/h3-6,8,12,19,23H,1-2,7,9-11H2.
What are the key properties of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 397.48 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 171488983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).