4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

C18H17F3N4O2 — CID 87054616

IUPAC4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)n1c(=O)c(NCc2ccc(OC(F)(F)F)cc2)nc2ccncc21
InChIInChI=1S/C18H17F3N4O2/c1-11(2)25-15-10-22-8-7-14(15)24-16(17(25)26)23-9-12-3-5-13(6-4-12)27-18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)
InChIKeySDVAOCBTMHWKTD-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.88
Rot. Bonds5

About 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054616) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
PubChem CID87054616
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)n1c(=O)c(NCc2ccc(OC(F)(F)F)cc2)nc2ccncc21
InChIInChI=1S/C18H17F3N4O2/c1-11(2)25-15-10-22-8-7-14(15)24-16(17(25)26)23-9-12-3-5-13(6-4-12)27-18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)
InChIKeySDVAOCBTMHWKTD-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
CID 146619131
1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
CID 126769157
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one
CID 53194675
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 121101323
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
2-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanol
CID 83858384
2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 141245984
N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472930
2-pyridin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741082
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084
1-[(1R,3S)-3-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 70919509
tert-butyl 4-[[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanoylamino]methyl]piperidine-1-carboxylate
CID 122445701

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (CID 87054616) is 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is CC(C)n1c(=O)c(NCc2ccc(OC(F)(F)F)cc2)nc2ccncc21.
What is the InChIKey of 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is SDVAOCBTMHWKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-11(2)25-15-10-22-8-7-14(15)24-16(17(25)26)23-9-12-3-5-13(6-4-12)27-18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,23,24).
What are the key properties of 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 378.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).