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

C17H16FN5S — CID 146415437

IUPAC4-[6-(6-fluoro-4-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(F)nc(N2CCc3nc(-c4cscn4)ncc3C2C)c1
InChIInChI=1S/C17H16FN5S/c1-10-5-15(18)22-16(6-10)23-4-3-13-12(11(23)2)7-19-17(21-13)14-8-24-9-20-14/h5-9,11H,3-4H2,1-2H3
InChIKeyVMAJOORVDAEADD-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.57
Rot. Bonds2

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

4-[6-(6-fluoro-4-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 146415437) has the molecular formula C17H16FN5S and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[6-(6-fluoro-4-methyl-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-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID146415437
Molecular FormulaC17H16FN5S
Molecular Weight341.42 g/mol
Exact Mass341.11
IUPAC Name4-[6-(6-fluoro-4-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(F)nc(N2CCc3nc(-c4cscn4)ncc3C2C)c1
InChIInChI=1S/C17H16FN5S/c1-10-5-15(18)22-16(6-10)23-4-3-13-12(11(23)2)7-19-17(21-13)14-8-24-9-20-14/h5-9,11H,3-4H2,1-2H3
InChIKeyVMAJOORVDAEADD-UHFFFAOYSA-N
XLogP3.57
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-fluoro-4-methyl-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-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 146415437) is 4-[6-(6-fluoro-4-methyl-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-methyl-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-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is Cc1cc(F)nc(N2CCc3nc(-c4cscn4)ncc3C2C)c1.
What is the InChIKey of 4-[6-(6-fluoro-4-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is VMAJOORVDAEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5S/c1-10-5-15(18)22-16(6-10)23-4-3-13-12(11(23)2)7-19-17(21-13)14-8-24-9-20-14/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 4-[6-(6-fluoro-4-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-(6-fluoro-4-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 341.42 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-fluoro-4-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 146415437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).