7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H18ClFN4O3S — CID 47010803

IUPAC7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccc(Cl)cn12
InChIInChI=1S/C19H18ClFN4O3S/c20-14-5-6-18-22-15(11-19(26)25(18)12-14)13-23-7-9-24(10-8-23)29(27,28)17-4-2-1-3-16(17)21/h1-6,11-12H,7-10,13H2
InChIKeySEMJNJUDZXSELH-UHFFFAOYSA-N
MW436.90 g/mol
LogP1.99
Rot. Bonds4

About 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47010803) has the molecular formula C19H18ClFN4O3S and a molecular weight of 436.90 g/mol. Its IUPAC name is 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47010803
Molecular FormulaC19H18ClFN4O3S
Molecular Weight436.90 g/mol
Exact Mass436.08
IUPAC Name7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccc(Cl)cn12
InChIInChI=1S/C19H18ClFN4O3S/c20-14-5-6-18-22-15(11-19(26)25(18)12-14)13-23-7-9-24(10-8-23)29(27,28)17-4-2-1-3-16(17)21/h1-6,11-12H,7-10,13H2
InChIKeySEMJNJUDZXSELH-UHFFFAOYSA-N
XLogP1.99
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47010803) is 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SEMJNJUDZXSELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3S/c20-14-5-6-18-22-15(11-19(26)25(18)12-14)13-23-7-9-24(10-8-23)29(27,28)17-4-2-1-3-16(17)21/h1-6,11-12H,7-10,13H2.
What are the key properties of 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 436.90 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47010803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).