3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C19H17FN4O4S — CID 16614745

IUPAC3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O4S/c20-15-5-1-2-6-16(15)29(27,28)23-11-9-22(10-12-23)18(25)14-13-21-17-7-3-4-8-24(17)19(14)26/h1-8,13H,9-12H2
InChIKeyPWHVOMMDWPYFSY-UHFFFAOYSA-N
MW416.43 g/mol
LogP0.98
Rot. Bonds3

About 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16614745) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID16614745
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O4S/c20-15-5-1-2-6-16(15)29(27,28)23-11-9-22(10-12-23)18(25)14-13-21-17-7-3-4-8-24(17)19(14)26/h1-8,13H,9-12H2
InChIKeyPWHVOMMDWPYFSY-UHFFFAOYSA-N
XLogP0.98
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 16614745) is 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PWHVOMMDWPYFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c20-15-5-1-2-6-16(15)29(27,28)23-11-9-22(10-12-23)18(25)14-13-21-17-7-3-4-8-24(17)19(14)26/h1-8,13H,9-12H2.
What are the key properties of 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 416.43 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16614745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).