2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C26H39N5O3 — CID 176929246

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCC1CCCN(c2c(CC)n(CC(C)=O)c3nc(C4=CCOCC4)nn3c2=O)C1CCC
InChIInChI=1S/C26H39N5O3/c1-5-9-19-11-8-14-29(22(19)10-6-2)23-21(7-3)30(17-18(4)32)26-27-24(28-31(26)25(23)33)20-12-15-34-16-13-20/h12,19,22H,5-11,13-17H2,1-4H3
InChIKeyXOIKWKWBSKLMMF-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.03
Rot. Bonds9

About 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 176929246) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID176929246
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCC1CCCN(c2c(CC)n(CC(C)=O)c3nc(C4=CCOCC4)nn3c2=O)C1CCC
InChIInChI=1S/C26H39N5O3/c1-5-9-19-11-8-14-29(22(19)10-6-2)23-21(7-3)30(17-18(4)32)26-27-24(28-31(26)25(23)33)20-12-15-34-16-13-20/h12,19,22H,5-11,13-17H2,1-4H3
InChIKeyXOIKWKWBSKLMMF-UHFFFAOYSA-N
XLogP4.03
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-(4-methylpiperazin-1-yl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-2,2-difluoroacetaldehyde
CID 177031096
4-(3,6-dihydro-2H-pyran-4-yl)-10-methyl-7-oxo-8-piperazin-1-yl-1,3,5,6-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,8-triene-12-carboxamide
CID 176022934
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 176078916
tert-butyl 4-[4-(3,6-dihydro-2H-pyran-4-yl)-10-methyl-7-oxo-1,3,5,6-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,8-trien-8-yl]piperazine-1-carboxylate
CID 171513825
2-[6-(3,8-diazabicyclo[4.2.0]octan-8-yl)-2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetaldehyde
CID 176929157
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-(4-methylpiperazin-1-yl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetaldehyde
CID 176929401
2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetaldehyde
CID 176929655

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 176929246) is 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCC1CCCN(c2c(CC)n(CC(C)=O)c3nc(C4=CCOCC4)nn3c2=O)C1CCC.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XOIKWKWBSKLMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-5-9-19-11-8-14-29(22(19)10-6-2)23-21(7-3)30(17-18(4)32)26-27-24(28-31(26)25(23)33)20-12-15-34-16-13-20/h12,19,22H,5-11,13-17H2,1-4H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 469.63 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-6-(2,3-dipropylpiperidin-1-yl)-5-ethyl-4-(2-oxopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 176929246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).