[2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone

C23H21F2N5O2 — CID 140882485

About [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone

[2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone (PubChem CID 140882485) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone.

Molecular Properties

• Compound Name: [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone
• PubChem CID: 140882485
• Molecular Formula: C23H21F2N5O2
• Molecular Weight: 437.45 g/mol
• Exact Mass: 437.17
• IUPAC Name: [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone
• SMILES: COc1c(C(=O)N2CC(c3cc(C)nc4ncnn34)CCC2(F)F)ccc2ccccc12
• InChI: InChI=1S/C23H21F2N5O2/c1-14-11-19(30-22(28-14)26-13-27-30)16-9-10-23(24,25)29(12-16)21(31)18-8-7-15-5-3-4-6-17(15)20(18)32-2/h3-8,11,13,16H,9-10,12H2,1-2H3
• InChIKey: CTYVKXDPATVBJT-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 72.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.45
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone?

The IUPAC name of [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone (CID 140882485) is [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone.

What is the SMILES notation for [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone?

The canonical SMILES for [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone is COc1c(C(=O)N2CC(c3cc(C)nc4ncnn34)CCC2(F)F)ccc2ccccc12.

What is the InChIKey of [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone?

The InChIKey is CTYVKXDPATVBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-14-11-19(30-22(28-14)26-13-27-30)16-9-10-23(24,25)29(12-16)21(31)18-8-7-15-5-3-4-6-17(15)20(18)32-2/h3-8,11,13,16H,9-10,12H2,1-2H3.

What are the key properties of [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone?

[2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone has a molecular weight of 437.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 140882485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).