9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H16N4O3S — CID 126452521

About 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126452521) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 126452521
• Molecular Formula: C17H16N4O3S
• Molecular Weight: 356.41 g/mol
• Exact Mass: 356.09
• IUPAC Name: 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: O=C(c1cnc2c(O)cccn2c1=O)N1CCCC[C@H]1c1nccs1
• InChI: InChI=1S/C17H16N4O3S/c22-13-5-3-8-21-14(13)19-10-11(17(21)24)16(23)20-7-2-1-4-12(20)15-18-6-9-25-15/h3,5-6,8-10,12,22H,1-2,4,7H2/t12-/m0/s1
• InChIKey: KXNITPOMXRWUJX-LBPRGKRZSA-N
• XLogP: 2.22
• TPSA: 87.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.41
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 126452521) is 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(O)cccn2c1=O)N1CCCC[C@H]1c1nccs1.

What is the InChIKey of 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is KXNITPOMXRWUJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-13-5-3-8-21-14(13)19-10-11(17(21)24)16(23)20-7-2-1-4-12(20)15-18-6-9-25-15/h3,5-6,8-10,12,22H,1-2,4,7H2/t12-/m0/s1.

What are the key properties of 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?

9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 356.41 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126452521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).