4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

C17H16FN5OS — CID 139461583

IUPAC4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCOc1cc(F)nc(N2CCc3nc(-c4cscn4)ncc3C2C)c1
InChIInChI=1S/C17H16FN5OS/c1-10-12-7-19-17(14-8-25-9-20-14)21-13(12)3-4-23(10)16-6-11(24-2)5-15(18)22-16/h5-10H,3-4H2,1-2H3
InChIKeyFSINAWWUGRVERK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.27
Rot. Bonds3

About 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461583) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461583
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCOc1cc(F)nc(N2CCc3nc(-c4cscn4)ncc3C2C)c1
InChIInChI=1S/C17H16FN5OS/c1-10-12-7-19-17(14-8-25-9-20-14)21-13(12)3-4-23(10)16-6-11(24-2)5-15(18)22-16/h5-10H,3-4H2,1-2H3
InChIKeyFSINAWWUGRVERK-UHFFFAOYSA-N
XLogP3.27
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461583) is 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is COc1cc(F)nc(N2CCc3nc(-c4cscn4)ncc3C2C)c1.
What is the InChIKey of 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is FSINAWWUGRVERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-10-12-7-19-17(14-8-25-9-20-14)21-13(12)3-4-23(10)16-6-11(24-2)5-15(18)22-16/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 357.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 139461583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).