1-[3-[[6-methyl-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

C24H28N6O2S — CID 142340811

About 1-[3-[[6-methyl-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-[[6-methyl-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 142340811) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 1-[3-[[6-methyl-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-[[6-methyl-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: 142340811
• Molecular Formula: C24H28N6O2S
• Molecular Weight: 464.60 g/mol
• Exact Mass: 464.20
• IUPAC Name: 1-[3-[[6-methyl-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: Cc1cc(N2CCc3nc(-c4cscn4)ncc3C2C)cc(OCCCN2CCCC2=O)n1
• InChI: InChI=1S/C24H28N6O2S/c1-16-11-18(12-22(27-16)32-10-4-8-29-7-3-5-23(29)31)30-9-6-20-19(17(30)2)13-25-24(28-20)21-14-33-15-26-21/h11-15,17H,3-10H2,1-2H3
• InChIKey: ZTASFAODGKQDGT-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 84.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.60
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-methyl-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-[[6-methyl-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 142340811) is 1-[3-[[6-methyl-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-[[6-methyl-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-[[6-methyl-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 Cc1cc(N2CCc3nc(-c4cscn4)ncc3C2C)cc(OCCCN2CCCC2=O)n1.

What is the InChIKey of 1-[3-[[6-methyl-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 ZTASFAODGKQDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-16-11-18(12-22(27-16)32-10-4-8-29-7-3-5-23(29)31)30-9-6-20-19(17(30)2)13-25-24(28-20)21-14-33-15-26-21/h11-15,17H,3-10H2,1-2H3.

What are the key properties of 1-[3-[[6-methyl-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-[[6-methyl-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 464.60 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[6-methyl-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 142340811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).