8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one

C22H23N7O2 — CID 171905405

IUPAC8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
SMILESCCn1cc(-c2nnc(-c3cccc(C)c3)o2)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C22H23N7O2/c1-3-28-13-17(21-27-26-20(31-21)15-6-4-5-14(2)11-15)18(30)16-12-24-22(25-19(16)28)29-9-7-23-8-10-29/h4-6,11-13,23H,3,7-10H2,1-2H3
InChIKeyTYWVALNPQFTBDV-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.25
Rot. Bonds4

About 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one

8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one (PubChem CID 171905405) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
PubChem CID171905405
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
SMILESCCn1cc(-c2nnc(-c3cccc(C)c3)o2)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C22H23N7O2/c1-3-28-13-17(21-27-26-20(31-21)15-6-4-5-14(2)11-15)18(30)16-12-24-22(25-19(16)28)29-9-7-23-8-10-29/h4-6,11-13,23H,3,7-10H2,1-2H3
InChIKeyTYWVALNPQFTBDV-UHFFFAOYSA-N
XLogP2.25
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
CID 171905401
6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
CID 51356986
8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid
CID 174466168
8-ethyl-2-[4-[(3-methylphenyl)methylcarbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 123771423
1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364418
2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 99962666
3-[5-[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-1,3,4-oxadiazol-2-yl]-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
CID 45111258
N-[4-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 45263758
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
1-ethyl-3-[5-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
CID 45111408
8-ethyl-2-[4-[[(1S)-1-(4-fluorophenyl)ethyl]carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 1265909
2-[4-(1,2,3-benzothiadiazol-4-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 56962891

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one (CID 171905405) is 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one is CCn1cc(-c2nnc(-c3cccc(C)c3)o2)c(=O)c2cnc(N3CCNCC3)nc21.
What is the InChIKey of 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The InChIKey is TYWVALNPQFTBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-3-28-13-17(21-27-26-20(31-21)15-6-4-5-14(2)11-15)18(30)16-12-24-22(25-19(16)28)29-9-7-23-8-10-29/h4-6,11-13,23H,3,7-10H2,1-2H3.
What are the key properties of 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one has a molecular weight of 417.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 171905405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).