3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C23H20N4O4S — CID 16614730

IUPAC3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H20N4O4S/c28-22(20-16-24-21-7-3-4-10-27(21)23(20)29)25-11-13-26(14-12-25)32(30,31)19-9-8-17-5-1-2-6-18(17)15-19/h1-10,15-16H,11-14H2
InChIKeyNISUCGJGLWTUKJ-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.99
Rot. Bonds3

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

3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16614730) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID16614730
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H20N4O4S/c28-22(20-16-24-21-7-3-4-10-27(21)23(20)29)25-11-13-26(14-12-25)32(30,31)19-9-8-17-5-1-2-6-18(17)15-19/h1-10,15-16H,11-14H2
InChIKeyNISUCGJGLWTUKJ-UHFFFAOYSA-N
XLogP1.99
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 16614730) is 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NISUCGJGLWTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c28-22(20-16-24-21-7-3-4-10-27(21)23(20)29)25-11-13-26(14-12-25)32(30,31)19-9-8-17-5-1-2-6-18(17)15-19/h1-10,15-16H,11-14H2.
What are the key properties of 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 448.50 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16614730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).