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

C36H36F2N10O2S2 — CID 158634010

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

4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 158634010) has the molecular formula C36H36F2N10O2S2 and a molecular weight of 742.88 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]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole
• PubChem CID: 158634010
• Molecular Formula: C36H36F2N10O2S2
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.24
• IUPAC Name: 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole
• SMILES: COc1cc(F)nc(N2CCc3nc(-c4cnc(C)s4)ncc3C2C)c1.COc1cc(F)nc(N2CCc3nc(-c4csc(C)n4)ncc3C2C)c1
• InChI: InChI=1S/2C18H18FN5OS/c1-10-13-8-21-18(15-9-20-11(2)26-15)22-14(13)4-5-24(10)17-7-12(25-3)6-16(19)23-17;1-10-13-8-20-18(15-9-26-11(2)21-15)22-14(13)4-5-24(10)17-7-12(25-3)6-16(19)23-17/h2*6-10H,4-5H2,1-3H3
• InChIKey: HZNUDDPDJFNOQU-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 128.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

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]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-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]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole (CID 158634010) is 4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-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]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-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]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole is COc1cc(F)nc(N2CCc3nc(-c4cnc(C)s4)ncc3C2C)c1.COc1cc(F)nc(N2CCc3nc(-c4csc(C)n4)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]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole?

The InChIKey is HZNUDDPDJFNOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18FN5OS/c1-10-13-8-21-18(15-9-20-11(2)26-15)22-14(13)4-5-24(10)17-7-12(25-3)6-16(19)23-17;1-10-13-8-20-18(15-9-26-11(2)21-15)22-14(13)4-5-24(10)17-7-12(25-3)6-16(19)23-17/h2*6-10H,4-5H2,1-3H3.

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

4-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 742.88 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 14 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]-2-methyl-1,3-thiazole;5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 158634010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).