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

C20H20N6O2 — CID 51356986

IUPAC6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
SMILESCCn1cc(-c2nc3ccccc3o2)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C20H20N6O2/c1-2-25-12-14(19-23-15-5-3-4-6-16(15)28-19)17(27)13-11-22-20(24-18(13)25)26-9-7-21-8-10-26/h3-6,11-12,21H,2,7-10H2,1H3
InChIKeyDCOOMMFNRXITQQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.03
Rot. Bonds3

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

6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one (PubChem CID 51356986) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
PubChem CID51356986
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
SMILESCCn1cc(-c2nc3ccccc3o2)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C20H20N6O2/c1-2-25-12-14(19-23-15-5-3-4-6-16(15)28-19)17(27)13-11-22-20(24-18(13)25)26-9-7-21-8-10-26/h3-6,11-12,21H,2,7-10H2,1H3
InChIKeyDCOOMMFNRXITQQ-UHFFFAOYSA-N
XLogP2.03
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one with MolForge

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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
8-ethyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one
CID 171905405
8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid
CID 174466168
3-(1,3-benzoxazol-2-yl)-7-chloro-1-ethyl-6-morpholin-4-ylquinolin-4-one
CID 141190188
8-ethyl-2-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 2967744
7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10831805
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 67388374
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
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
CID 67388608
2-[4-[(4-carboxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 45484182
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one (CID 51356986) is 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one is CCn1cc(-c2nc3ccccc3o2)c(=O)c2cnc(N3CCNCC3)nc21.
What is the InChIKey of 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
The InChIKey is DCOOMMFNRXITQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-2-25-12-14(19-23-15-5-3-4-6-16(15)28-19)17(27)13-11-22-20(24-18(13)25)26-9-7-21-8-10-26/h3-6,11-12,21H,2,7-10H2,1H3.
What are the key properties of 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one?
6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one has a molecular weight of 376.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-yl)-8-ethyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 51356986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).