2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C20H20F3N7O3 — CID 137049795

About 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049795) has the molecular formula C20H20F3N7O3 and a molecular weight of 463.42 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
• PubChem CID: 137049795
• Molecular Formula: C20H20F3N7O3
• Molecular Weight: 463.42 g/mol
• Exact Mass: 463.16
• IUPAC Name: 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
• SMILES: Cc1c(C(=O)N2CCC(c3noc(C(F)(F)F)n3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
• InChI: InChI=1S/C20H20F3N7O3/c1-10-13(9-24-30(10)19-25-14-4-2-3-12(14)16(31)27-19)17(32)29-7-5-11(6-8-29)15-26-18(33-28-15)20(21,22)23/h9,11H,2-8H2,1H3,(H,25,27,31)
• InChIKey: OSFYKARRZMRFHT-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 122.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.42
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?

The IUPAC name of 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049795) is 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

What is the SMILES notation for 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?

The canonical SMILES for 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(c3noc(C(F)(F)F)n3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.

What is the InChIKey of 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?

The InChIKey is OSFYKARRZMRFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O3/c1-10-13(9-24-30(10)19-25-14-4-2-3-12(14)16(31)27-19)17(32)29-7-5-11(6-8-29)15-26-18(33-28-15)20(21,22)23/h9,11H,2-8H2,1H3,(H,25,27,31).

What are the key properties of 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?

2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 463.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).