6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine

C66H54F18N20O8 — CID 159207057

IUPAC6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC1(c2nnc3cnc(-c4cnc(OC(F)(F)C(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(O[C@@H](C)C(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(O[C@H](C)C(F)(F)F)c(F)c4)cn23)CC1
InChIInChI=1S/2C17H15F4N5O2.C16H11F6N5O2.C16H13F4N5O2/c2*1-9(17(19,20)21)28-14-11(18)5-10(6-23-14)12-8-26-13(7-22-12)24-25-15(26)16(27-2)3-4-16;1-28-14(2-3-14)13-26-25-11-6-23-10(7-27(11)13)8-4-9(17)12(24-5-8)29-16(21,22)15(18,19)20;1-26-15(2-3-15)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20/h2*5-9H,3-4H2,1-2H3;4-7H,2-3H2,1H3;4-7H,2-3,8H2,1H3/t2*9-;;/m10../s1
InChIKeyKQAAXKYLJPTMPL-SKJKTULISA-N
MW1597.25 g/mol
LogP12.98
Rot. Bonds20

About 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159207057) has the molecular formula C66H54F18N20O8 and a molecular weight of 1597.25 g/mol. Its IUPAC name is 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID159207057
Molecular FormulaC66H54F18N20O8
Molecular Weight1597.25 g/mol
Exact Mass1596.41
IUPAC Name6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC1(c2nnc3cnc(-c4cnc(OC(F)(F)C(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(O[C@@H](C)C(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(O[C@H](C)C(F)(F)F)c(F)c4)cn23)CC1
InChIInChI=1S/2C17H15F4N5O2.C16H11F6N5O2.C16H13F4N5O2/c2*1-9(17(19,20)21)28-14-11(18)5-10(6-23-14)12-8-26-13(7-22-12)24-25-15(26)16(27-2)3-4-16;1-28-14(2-3-14)13-26-25-11-6-23-10(7-27(11)13)8-4-9(17)12(24-5-8)29-16(21,22)15(18,19)20;1-26-15(2-3-15)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20/h2*5-9H,3-4H2,1-2H3;4-7H,2-3H2,1H3;4-7H,2-3,8H2,1H3/t2*9-;;/m10../s1
InChIKeyKQAAXKYLJPTMPL-SKJKTULISA-N
XLogP12.98
TPSA297.72 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.25
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine 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

Prax-562
CID 147075611
US20240043427, Example 666
CID 157033146
7-[2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium
CID 123333663
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
2-[2-(6-Fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 126557455
2-[2-(6-fluoro-3,7-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-8-[2-[(1S)-2-(6-fluoro-8-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 126557475
6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 132035500
2-[2-[7-[[8-Fluoro-2-[2-(8-fluoroimidazo[1,2-a]pyridin-2-yl)cyclopropyl]imidazo[1,2-a]pyridin-6-yl]methoxy]-8-methylimidazo[1,2-a]pyridin-2-yl]cyclopropyl]-7-methoxy-8-methylimidazo[1,2-a]pyridine
CID 138482923
6-[5-Fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362320
3-(2,2-Difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(3-fluoropropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362325
Ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362380
6-[6-(3,3-Difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362383

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 159207057) is 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine is COC1(c2nnc3cnc(-c4cnc(OC(F)(F)C(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(O[C@@H](C)C(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(-c4cnc(O[C@H](C)C(F)(F)F)c(F)c4)cn23)CC1.
What is the InChIKey of 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KQAAXKYLJPTMPL-SKJKTULISA-N. The full InChI is InChI=1S/2C17H15F4N5O2.C16H11F6N5O2.C16H13F4N5O2/c2*1-9(17(19,20)21)28-14-11(18)5-10(6-23-14)12-8-26-13(7-22-12)24-25-15(26)16(27-2)3-4-16;1-28-14(2-3-14)13-26-25-11-6-23-10(7-27(11)13)8-4-9(17)12(24-5-8)29-16(21,22)15(18,19)20;1-26-15(2-3-15)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20/h2*5-9H,3-4H2,1-2H3;4-7H,2-3H2,1H3;4-7H,2-3,8H2,1H3/t2*9-;;/m10../s1.
What are the key properties of 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1597.25 g/mol, XLogP of 12.98, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(1,1,2,2,2-pentafluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159207057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).