[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C19H24N4OS — CID 92559323

About [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 92559323) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
• PubChem CID: 92559323
• Molecular Formula: C19H24N4OS
• Molecular Weight: 356.50 g/mol
• Exact Mass: 356.17
• IUPAC Name: [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
• SMILES: Cc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)s1
• InChI: InChI=1S/C19H24N4OS/c1-13-5-6-17(25-13)19(24)23-8-3-4-14(12-23)18-20-10-15-11-22(2)9-7-16(15)21-18/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1
• InChIKey: ZHIRUCISYMFKNF-AWEZNQCLSA-N
• XLogP: 2.85
• TPSA: 49.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.50
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?

The IUPAC name of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 92559323) is [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

What is the SMILES notation for [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?

The canonical SMILES for [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)s1.

What is the InChIKey of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?

The InChIKey is ZHIRUCISYMFKNF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13-5-6-17(25-13)19(24)23-8-3-4-14(12-23)18-20-10-15-11-22(2)9-7-16(15)21-18/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1.

What are the key properties of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?

[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 356.50 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 92559323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).