4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one

C21H24N6O4 — CID 170512354

IUPAC4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCN(c2ccnc3nncn23)CC1
InChIInChI=1S/C21H24N6O4/c1-14-12-16(15-3-10-30-11-4-15)31-20(29)18(14)19(28)26-8-6-25(7-9-26)17-2-5-22-21-24-23-13-27(17)21/h2,5,12-13,15H,3-4,6-11H2,1H3
InChIKeyOWMAYAVROUXKFX-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.24
Rot. Bonds3

About 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one

4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one (PubChem CID 170512354) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one
PubChem CID170512354
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCN(c2ccnc3nncn23)CC1
InChIInChI=1S/C21H24N6O4/c1-14-12-16(15-3-10-30-11-4-15)31-20(29)18(14)19(28)26-8-6-25(7-9-26)17-2-5-22-21-24-23-13-27(17)21/h2,5,12-13,15H,3-4,6-11H2,1H3
InChIKeyOWMAYAVROUXKFX-UHFFFAOYSA-N
XLogP1.24
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
3-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170508839
6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219
(2-methylsulfanylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
CID 86286541
6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
CID 170509556
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 170509110
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
CID 165425244
3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170506177
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 171386250
4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one
CID 170507014
4-methyl-6-piperidin-3-yl-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyran-2-one;dihydrochloride
CID 171712671
6-cyclobutyl-3-[4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-4-methylpyran-2-one
CID 170509181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one?
The IUPAC name of 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one (CID 170512354) is 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one?
The canonical SMILES for 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCN(c2ccnc3nncn23)CC1.
What is the InChIKey of 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one?
The InChIKey is OWMAYAVROUXKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-14-12-16(15-3-10-30-11-4-15)31-20(29)18(14)19(28)26-8-6-25(7-9-26)17-2-5-22-21-24-23-13-27(17)21/h2,5,12-13,15H,3-4,6-11H2,1H3.
What are the key properties of 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one?
4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one has a molecular weight of 424.46 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 170512354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).