5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one

C37H38F6N10O4 — CID 147286326

IUPAC5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one
SMILESCCN1C(=O)CN(CCOCCOC([C@H]2CC[C@H](C)N2c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)C(F)(F)F)c2ncc(-c3ccc(-c4ncn[nH]4)nc3C)nc21
InChIInChI=1S/C37H38F6N10O4/c1-4-52-31(55)18-51(34-35(52)49-28(17-44-34)23-7-9-27(47-21(23)3)33-45-19-46-50-33)11-12-56-13-14-57-32(37(41,42)43)29-10-5-20(2)53(29)22-6-8-26-24(15-22)25(36(38,39)40)16-30(54)48-26/h6-9,15-17,19-20,29,32H,4-5,10-14,18H2,1-3H3,(H,48,54)(H,45,46,50)/t20-,29+,32?/m0/s1
InChIKeyCTHPZUIOVHBFSG-IHTODJHKSA-N
MW800.76 g/mol
LogP5.69
Rot. Bonds12

About 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one

5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one (PubChem CID 147286326) has the molecular formula C37H38F6N10O4 and a molecular weight of 800.76 g/mol. Its IUPAC name is 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one
PubChem CID147286326
Molecular FormulaC37H38F6N10O4
Molecular Weight800.76 g/mol
Exact Mass800.30
IUPAC Name5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one
SMILESCCN1C(=O)CN(CCOCCOC([C@H]2CC[C@H](C)N2c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)C(F)(F)F)c2ncc(-c3ccc(-c4ncn[nH]4)nc3C)nc21
InChIInChI=1S/C37H38F6N10O4/c1-4-52-31(55)18-51(34-35(52)49-28(17-44-34)23-7-9-27(47-21(23)3)33-45-19-46-50-33)11-12-56-13-14-57-32(37(41,42)43)29-10-5-20(2)53(29)22-6-8-26-24(15-22)25(36(38,39)40)16-30(54)48-26/h6-9,15-17,19-20,29,32H,4-5,10-14,18H2,1-3H3,(H,48,54)(H,45,46,50)/t20-,29+,32?/m0/s1
InChIKeyCTHPZUIOVHBFSG-IHTODJHKSA-N
XLogP5.69
TPSA158.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.76
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one (CID 147286326) is 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one is CCN1C(=O)CN(CCOCCOC([C@H]2CC[C@H](C)N2c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)C(F)(F)F)c2ncc(-c3ccc(-c4ncn[nH]4)nc3C)nc21.
What is the InChIKey of 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one?
The InChIKey is CTHPZUIOVHBFSG-IHTODJHKSA-N. The full InChI is InChI=1S/C37H38F6N10O4/c1-4-52-31(55)18-51(34-35(52)49-28(17-44-34)23-7-9-27(47-21(23)3)33-45-19-46-50-33)11-12-56-13-14-57-32(37(41,42)43)29-10-5-20(2)53(29)22-6-8-26-24(15-22)25(36(38,39)40)16-30(54)48-26/h6-9,15-17,19-20,29,32H,4-5,10-14,18H2,1-3H3,(H,48,54)(H,45,46,50)/t20-,29+,32?/m0/s1.
What are the key properties of 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one?
5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one has a molecular weight of 800.76 g/mol, XLogP of 5.69, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-[2-[2,2,2-trifluoro-1-[(2R,5S)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethoxy]ethoxy]ethyl]-7H-pyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 147286326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).