5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one

C22H24FN5OS — CID 166475103

IUPAC5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1C2=C(SC1c1ccc(N3CCCC3)nc1)C(=O)N(c1cccc(N)c1F)CC2
InChIInChI=1S/C22H24FN5OS/c1-26-17-9-12-28(16-6-4-5-15(24)19(16)23)21(29)20(17)30-22(26)14-7-8-18(25-13-14)27-10-2-3-11-27/h4-8,13,22H,2-3,9-12,24H2,1H3
InChIKeyMBXLTFLVSHXFEC-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.73
Rot. Bonds3

About 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one

5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475103) has the molecular formula C22H24FN5OS and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475103
Molecular FormulaC22H24FN5OS
Molecular Weight425.53 g/mol
Exact Mass425.17
IUPAC Name5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1C2=C(SC1c1ccc(N3CCCC3)nc1)C(=O)N(c1cccc(N)c1F)CC2
InChIInChI=1S/C22H24FN5OS/c1-26-17-9-12-28(16-6-4-5-15(24)19(16)23)21(29)20(17)30-22(26)14-7-8-18(25-13-14)27-10-2-3-11-27/h4-8,13,22H,2-3,9-12,24H2,1H3
InChIKeyMBXLTFLVSHXFEC-UHFFFAOYSA-N
XLogP3.73
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-pyridin-2-ylacetamide
CID 3242521
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methylpyridin-2-yl)acetamide
CID 3244018
2-[(1-Ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-(5-methylpyridin-2-YL)acetamide
CID 16187882
N-(3-acetamidophenyl)-2-((2-oxo-1-(pyridin-3-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18581352
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(5-methyl-2-pyridinyl)-
CID 486685
2-(4-Fluorophenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 25168713
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(3-methyl-2-pyridinyl)-
CID 486683
(7Z)-3-(3-fluorophenyl)-7-(pyridin-3-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1586848
2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 44562941
N-(3-fluoro-4-methylphenyl)-2-((4-(pyrrolidin-1-yl)pyrimidin-2-yl)thio)acetamide
CID 49663275
2-(4-Fluorophenyl)-3-(3-methylpyridin-2-yl)-1,3-thiazolidin-4-one
CID 130385830

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475103) is 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one is CN1C2=C(SC1c1ccc(N3CCCC3)nc1)C(=O)N(c1cccc(N)c1F)CC2.
What is the InChIKey of 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is MBXLTFLVSHXFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5OS/c1-26-17-9-12-28(16-6-4-5-15(24)19(16)23)21(29)20(17)30-22(26)14-7-8-18(25-13-14)27-10-2-3-11-27/h4-8,13,22H,2-3,9-12,24H2,1H3.
What are the key properties of 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 425.53 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).