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

C24H22N4O4S — CID 43056875

IUPAC7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c(=O)n2c1
InChIInChI=1S/C24H22N4O4S/c1-17-6-9-22-25-15-21(24(30)28(22)16-17)23(29)26-10-12-27(13-11-26)33(31,32)20-8-7-18-4-2-3-5-19(18)14-20/h2-9,14-16H,10-13H2,1H3
InChIKeyVQFULKNCBCIMHI-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.30
Rot. Bonds3

About 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43056875) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID43056875
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c(=O)n2c1
InChIInChI=1S/C24H22N4O4S/c1-17-6-9-22-25-15-21(24(30)28(22)16-17)23(29)26-10-12-27(13-11-26)33(31,32)20-8-7-18-4-2-3-5-19(18)14-20/h2-9,14-16H,10-13H2,1H3
InChIKeyVQFULKNCBCIMHI-UHFFFAOYSA-N
XLogP2.30
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 43056875) is 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c(=O)n2c1.
What is the InChIKey of 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VQFULKNCBCIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-17-6-9-22-25-15-21(24(30)28(22)16-17)23(29)26-10-12-27(13-11-26)33(31,32)20-8-7-18-4-2-3-5-19(18)14-20/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 462.53 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43056875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).