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

C21H21N7O3 — CID 171905401

IUPAC8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
SMILESCCn1cc(-c2nnc(-c3ccc(O)cc3)o2)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C21H21N7O3/c1-2-27-12-16(20-26-25-19(31-20)13-3-5-14(29)6-4-13)17(30)15-11-23-21(24-18(15)27)28-9-7-22-8-10-28/h3-6,11-12,22,29H,2,7-10H2,1H3
InChIKeyFQVUUQPDZXLHLQ-UHFFFAOYSA-N
MW419.45 g/mol
LogP1.64
Rot. Bonds4

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

8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one (PubChem CID 171905401) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
PubChem CID171905401
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
SMILESCCn1cc(-c2nnc(-c3ccc(O)cc3)o2)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C21H21N7O3/c1-2-27-12-16(20-26-25-19(31-20)13-3-5-14(29)6-4-13)17(30)15-11-23-21(24-18(15)27)28-9-7-22-8-10-28/h3-6,11-12,22,29H,2,7-10H2,1H3
InChIKeyFQVUUQPDZXLHLQ-UHFFFAOYSA-N
XLogP1.64
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
CID 171905405
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
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
8-ethyl-2-[4-[[(1S)-1-(4-fluorophenyl)ethyl]carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 1265909
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
2-[4-[(4-carboxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 45484182
1-ethyl-6-fluoro-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-piperazin-1-yl-1,8-naphthyridin-4-one
CID 175146812
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
2-[4-[1-(4-chlorophenyl)ethylcarbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 4976540
4-[7-methyl-2,4-di(piperazin-1-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenol;trihydrobromide
CID 67811850
8-ethyl-5-oxo-2-[4-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 45484132

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one (CID 171905401) is 8-ethyl-6-[5-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one is CCn1cc(-c2nnc(-c3ccc(O)cc3)o2)c(=O)c2cnc(N3CCNCC3)nc21.
What is the InChIKey of 8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The InChIKey is FQVUUQPDZXLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-2-27-12-16(20-26-25-19(31-20)13-3-5-14(29)6-4-13)17(30)15-11-23-21(24-18(15)27)28-9-7-22-8-10-28/h3-6,11-12,22,29H,2,7-10H2,1H3.
What are the key properties of 8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one has a molecular weight of 419.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 171905401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).