5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

C21H22FN5O2 — CID 95216679

About 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 95216679) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
• PubChem CID: 95216679
• Molecular Formula: C21H22FN5O2
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.18
• IUPAC Name: 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
• SMILES: Cc1ncc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c(=O)[nH]1
• InChI: InChI=1S/C21H22FN5O2/c1-13-23-10-16(21(29)25-13)9-19(28)27-8-2-3-15(12-27)20-18(11-24-26-20)14-4-6-17(22)7-5-14/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H,24,26)(H,23,25,29)/t15-/m1/s1
• InChIKey: FWOSCANTLZUAMY-OAHLLOKOSA-N
• XLogP: 2.56
• TPSA: 94.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?

The IUPAC name of 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 95216679) is 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

What is the SMILES notation for 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?

The canonical SMILES for 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c(=O)[nH]1.

What is the InChIKey of 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?

The InChIKey is FWOSCANTLZUAMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-23-10-16(21(29)25-13)9-19(28)27-8-2-3-15(12-27)20-18(11-24-26-20)14-4-6-17(22)7-5-14/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H,24,26)(H,23,25,29)/t15-/m1/s1.

What are the key properties of 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?

5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 395.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 95216679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).