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

C19H19N5O2 — CID 120732049

IUPAC7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCNCC3c3cccnc3)c(=O)n2c1
InChIInChI=1S/C19H19N5O2/c1-13-4-5-17-22-10-15(19(26)24(17)12-13)18(25)23-8-7-21-11-16(23)14-3-2-6-20-9-14/h2-6,9-10,12,16,21H,7-8,11H2,1H3
InChIKeyZQMYAKMLYAZHBP-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.18
Rot. Bonds2

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

7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 120732049) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID120732049
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCNCC3c3cccnc3)c(=O)n2c1
InChIInChI=1S/C19H19N5O2/c1-13-4-5-17-22-10-15(19(26)24(17)12-13)18(25)23-8-7-21-11-16(23)14-3-2-6-20-9-14/h2-6,9-10,12,16,21H,7-8,11H2,1H3
InChIKeyZQMYAKMLYAZHBP-UHFFFAOYSA-N
XLogP1.18
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120573008
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730316
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730315
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732507
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728895
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732506

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 120732049) is 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCNCC3c3cccnc3)c(=O)n2c1.
What is the InChIKey of 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZQMYAKMLYAZHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-4-5-17-22-10-15(19(26)24(17)12-13)18(25)23-8-7-21-11-16(23)14-3-2-6-20-9-14/h2-6,9-10,12,16,21H,7-8,11H2,1H3.
What are the key properties of 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 349.39 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 120732049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).