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

C63H69F3N18O3S3 — CID 161290276

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

4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 161290276) has the molecular formula C63H69F3N18O3S3 and a molecular weight of 1279.56 g/mol. Its IUPAC name is 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
• PubChem CID: 161290276
• Molecular Formula: C63H69F3N18O3S3
• Molecular Weight: 1279.56 g/mol
• Exact Mass: 1278.49
• IUPAC Name: 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
• SMILES: COC1CCN(c2cc(F)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1.COC1CCN(c2cc(F)nc(N3CCc4nc(-c5cscn5)ncc4C3C)c2)C1.COC1CCN(c2cc(N3CCc4nc(-c5cscn5)ncc4C3C)cc(F)n2)C1
• InChI: InChI=1S/3C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)14-7-19(22)26-20(8-14)27-5-3-15(10-27)29-2;1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)20-8-14(7-19(22)26-20)27-5-3-15(10-27)29-2;1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)20-8-14(22)7-19(26-20)27-5-3-15(10-27)29-2/h3*7-9,11-13,15H,3-6,10H2,1-2H3
• InChIKey: VGGGSPYKHFEDSK-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 201.81 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.56
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?

The IUPAC name of 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 161290276) is 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-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-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?

The canonical SMILES for 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is COC1CCN(c2cc(F)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1.COC1CCN(c2cc(F)nc(N3CCc4nc(-c5cscn5)ncc4C3C)c2)C1.COC1CCN(c2cc(N3CCc4nc(-c5cscn5)ncc4C3C)cc(F)n2)C1.

What is the InChIKey of 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?

The InChIKey is VGGGSPYKHFEDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)14-7-19(22)26-20(8-14)27-5-3-15(10-27)29-2;1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)20-8-14(7-19(22)26-20)27-5-3-15(10-27)29-2;1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)20-8-14(22)7-19(26-20)27-5-3-15(10-27)29-2/h3*7-9,11-13,15H,3-6,10H2,1-2H3.

What are the key properties of 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?

4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 1279.56 g/mol, XLogP of 10.45, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[4-fluoro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 161290276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).