5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol

C19H17F3N4O2 — CID 169259568

IUPAC5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol
SMILESOC1COCC(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c3nccnc23)C1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)12-3-1-11(2-4-12)15-8-25-18(17-16(15)23-5-6-24-17)26-13-7-14(27)10-28-9-13/h1-6,8,13-14,27H,7,9-10H2,(H,25,26)
InChIKeyFLPLNWRWLOOZOS-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.27
Rot. Bonds3

About 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol

5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol (PubChem CID 169259568) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol.

Molecular Properties

Compound Name5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol
PubChem CID169259568
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol
SMILESOC1COCC(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c3nccnc23)C1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)12-3-1-11(2-4-12)15-8-25-18(17-16(15)23-5-6-24-17)26-13-7-14(27)10-28-9-13/h1-6,8,13-14,27H,7,9-10H2,(H,25,26)
InChIKeyFLPLNWRWLOOZOS-UHFFFAOYSA-N
XLogP3.27
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol 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

2-(2-(4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-ylamino)ethoxy)ethanol
CID 11772954
3-(7-(3-(Trifluoromethyl)pyridin-2-yl)-4-(6-(trifluoromethyl)pyridin-3-ylamino)quinazolin-2-yl)propan-1-ol
CID 10323420
4-[[7-[6-(Dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol
CID 66556366
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113911
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113915
4-(4-(3-(4-Fluorophenyl)quinoxalin-2-yl)pyridin-2-ylamino)cyclohexanol
CID 45488148
6-[3-Fluoro-5-[(tetrahydropyran-4-ylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 72704910
(4S,6S)-4-(fluoromethyl)-4-[2-fluoro-5-[[2-(trifluoromethyl)pyrido[3,4-b]pyrazin-5-yl]amino]phenyl]-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 90373123
3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-(oxetan-3-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310187
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-(oxetan-3-yl)pyrido[3,4-b]pyrazin-3-amine
CID 118310202
3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118310219
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118310228

Frequently Asked Questions

What is the IUPAC name of 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol?
The IUPAC name of 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol (CID 169259568) is 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol.
What is the SMILES notation for 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol?
The canonical SMILES for 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol is OC1COCC(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c3nccnc23)C1.
What is the InChIKey of 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol?
The InChIKey is FLPLNWRWLOOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)12-3-1-11(2-4-12)15-8-25-18(17-16(15)23-5-6-24-17)26-13-7-14(27)10-28-9-13/h1-6,8,13-14,27H,7,9-10H2,(H,25,26).
What are the key properties of 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol?
5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol has a molecular weight of 390.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-3-ol is sourced from PubChem (CID 169259568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).