1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one

C22H23F3N6O3 — CID 177307371

IUPAC1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2cc(-c3noc(COCC(F)(F)F)n3)ccc2C)Cc2cnc(NC)cc21
InChIInChI=1S/C22H23F3N6O3/c1-4-30-17-8-18(26-3)27-9-15(17)10-31(21(30)32)16-7-14(6-5-13(16)2)20-28-19(34-29-20)11-33-12-22(23,24)25/h5-9H,4,10-12H2,1-3H3,(H,26,27)
InChIKeyNUWAZEPBNGUWJJ-UHFFFAOYSA-N
MW476.46 g/mol
LogP4.53
Rot. Bonds7

About 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one

1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 177307371) has the molecular formula C22H23F3N6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID177307371
Molecular FormulaC22H23F3N6O3
Molecular Weight476.46 g/mol
Exact Mass476.18
IUPAC Name1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2cc(-c3noc(COCC(F)(F)F)n3)ccc2C)Cc2cnc(NC)cc21
InChIInChI=1S/C22H23F3N6O3/c1-4-30-17-8-18(26-3)27-9-15(17)10-31(21(30)32)16-7-14(6-5-13(16)2)20-28-19(34-29-20)11-33-12-22(23,24)25/h5-9H,4,10-12H2,1-3H3,(H,26,27)
InChIKeyNUWAZEPBNGUWJJ-UHFFFAOYSA-N
XLogP4.53
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 144545214
N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144545153
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(trifluoromethyl)benzoate
CID 46519572
ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 144545178
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]formamide;3-methyl-6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine
CID 144544768
N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282438
1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 30386873
N-[[3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53011774
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 103211739
3-(3-fluoro-4-methylphenyl)-5-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86917000
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
N-[4-methyl-3-[7-(methylamino)-1-(3-methylcyclopentyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 176856346

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one (CID 177307371) is 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one is CCN1C(=O)N(c2cc(-c3noc(COCC(F)(F)F)n3)ccc2C)Cc2cnc(NC)cc21.
What is the InChIKey of 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is NUWAZEPBNGUWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O3/c1-4-30-17-8-18(26-3)27-9-15(17)10-31(21(30)32)16-7-14(6-5-13(16)2)20-28-19(34-29-20)11-33-12-22(23,24)25/h5-9H,4,10-12H2,1-3H3,(H,26,27).
What are the key properties of 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one?
1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 476.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(methylamino)-3-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 177307371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).