1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one

C46H50F2N12O4S2 — CID 158601169

About 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one

1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one (PubChem CID 158601169) has the molecular formula C46H50F2N12O4S2 and a molecular weight of 937.12 g/mol. Its IUPAC name is 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one
• PubChem CID: 158601169
• Molecular Formula: C46H50F2N12O4S2
• Molecular Weight: 937.12 g/mol
• Exact Mass: 936.35
• IUPAC Name: 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one
• SMILES: CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(OCCCN2CCCC2=O)c1.CC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCCCN2CCCC2=O)cc(F)n1
• InChI: InChI=1S/2C23H25FN6O2S/c1-15-17-12-25-23(19-13-33-14-26-19)27-18(17)5-8-30(15)21-11-16(10-20(24)28-21)32-9-3-7-29-6-2-4-22(29)31;1-15-17-12-25-23(19-13-33-14-26-19)27-18(17)5-8-30(15)16-10-20(24)28-21(11-16)32-9-3-7-29-6-2-4-22(29)31/h2*10-15H,2-9H2,1H3
• InChIKey: HVQRRTSJTGONID-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 168.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.12
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one (CID 158601169) is 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(OCCCN2CCCC2=O)c1.CC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCCCN2CCCC2=O)cc(F)n1.

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

The InChIKey is HVQRRTSJTGONID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25FN6O2S/c1-15-17-12-25-23(19-13-33-14-26-19)27-18(17)5-8-30(15)21-11-16(10-20(24)28-21)32-9-3-7-29-6-2-4-22(29)31;1-15-17-12-25-23(19-13-33-14-26-19)27-18(17)5-8-30(15)16-10-20(24)28-21(11-16)32-9-3-7-29-6-2-4-22(29)31/h2*10-15H,2-9H2,1H3.

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

1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one has a molecular weight of 937.12 g/mol, XLogP of 7.30, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 158601169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).