6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C111H96F33N35O14 — CID 159265670

IUPAC6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCOc1ccc(-c2cn3c(C(F)(F)OC)nnc3cn2)cn1.CCCCOc1ncc(-c2cn3c(C(F)(F)OCC)nnc3cn2)cc1F.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)c(C)n12.COC(F)(F)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)c(C)n12.C[C@H](Oc1ncc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C17H13F6N5O2.C17H18F3N5O2.C16H13F6N5O2.C16H17F2N5O2.C15H11F6N5O2.2C15H12F5N5O2/c1-8(16(19,20)21)29-14-11(18)4-9(5-25-14)12-7-28-13(6-24-12)26-27-15(28)17(22,23)30-10-2-3-10;1-3-5-6-26-15-12(18)7-11(8-22-15)13-10-25-14(9-21-13)23-24-16(25)17(19,20)27-4-2;1-7-12(23-6-11-25-26-14(27(7)11)16(21,22)28-3)9-4-10(17)13(24-5-9)29-8(2)15(18,19)20;1-3-4-7-25-14-6-5-11(8-20-14)12-10-23-13(9-19-12)21-22-15(23)16(17,18)24-2;1-7-11(8-3-9(16)12(23-4-8)28-6-14(17,18)19)22-5-10-24-25-13(26(7)10)15(20,21)27-2;2*1-8(14(16,17)18)27-12-4-3-9(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(19,20)26-2/h4-8,10H,2-3H2,1H3;7-10H,3-6H2,1-2H3;4-6,8H,1-3H3;5-6,8-10H,3-4,7H2,1-2H3;3-5H,6H2,1-2H3;2*3-8H,1-2H3/t8-;;8-;;;2*8-/m0.1..10/s1
InChIKeyKXBJBFDXKCZUOG-CEKJEHLRSA-N
MW2771.15 g/mol
LogP23.89
Rot. Bonds41

About 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159265670) has the molecular formula C111H96F33N35O14 and a molecular weight of 2771.15 g/mol. Its IUPAC name is 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID159265670
Molecular FormulaC111H96F33N35O14
Molecular Weight2771.15 g/mol
Exact Mass2769.73
IUPAC Name6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCOc1ccc(-c2cn3c(C(F)(F)OC)nnc3cn2)cn1.CCCCOc1ncc(-c2cn3c(C(F)(F)OCC)nnc3cn2)cc1F.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)c(C)n12.COC(F)(F)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)c(C)n12.C[C@H](Oc1ncc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C17H13F6N5O2.C17H18F3N5O2.C16H13F6N5O2.C16H17F2N5O2.C15H11F6N5O2.2C15H12F5N5O2/c1-8(16(19,20)21)29-14-11(18)4-9(5-25-14)12-7-28-13(6-24-12)26-27-15(28)17(22,23)30-10-2-3-10;1-3-5-6-26-15-12(18)7-11(8-22-15)13-10-25-14(9-21-13)23-24-16(25)17(19,20)27-4-2;1-7-12(23-6-11-25-26-14(27(7)11)16(21,22)28-3)9-4-10(17)13(24-5-9)29-8(2)15(18,19)20;1-3-4-7-25-14-6-5-11(8-20-14)12-10-23-13(9-19-12)21-22-15(23)16(17,18)24-2;1-7-11(8-3-9(16)12(23-4-8)28-6-14(17,18)19)22-5-10-24-25-13(26(7)10)15(20,21)27-2;2*1-8(14(16,17)18)27-12-4-3-9(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(19,20)26-2/h4-8,10H,2-3H2,1H3;7-10H,3-6H2,1-2H3;4-6,8H,1-3H3;5-6,8-10H,3-4,7H2,1-2H3;3-5H,6H2,1-2H3;2*3-8H,1-2H3/t8-;;8-;;;2*8-/m0.1..10/s1
InChIKeyKXBJBFDXKCZUOG-CEKJEHLRSA-N
XLogP23.89
TPSA521.01 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds41
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002771.15
LogP ≤ 523.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[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

Frequently Asked Questions

What is the IUPAC name of 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 159265670) is 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCCCOc1ccc(-c2cn3c(C(F)(F)OC)nnc3cn2)cn1.CCCCOc1ncc(-c2cn3c(C(F)(F)OCC)nnc3cn2)cc1F.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)c(C)n12.COC(F)(F)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)c(C)n12.C[C@H](Oc1ncc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cc1F)C(F)(F)F.
What is the InChIKey of 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KXBJBFDXKCZUOG-CEKJEHLRSA-N. The full InChI is InChI=1S/C17H13F6N5O2.C17H18F3N5O2.C16H13F6N5O2.C16H17F2N5O2.C15H11F6N5O2.2C15H12F5N5O2/c1-8(16(19,20)21)29-14-11(18)4-9(5-25-14)12-7-28-13(6-24-12)26-27-15(28)17(22,23)30-10-2-3-10;1-3-5-6-26-15-12(18)7-11(8-22-15)13-10-25-14(9-21-13)23-24-16(25)17(19,20)27-4-2;1-7-12(23-6-11-25-26-14(27(7)11)16(21,22)28-3)9-4-10(17)13(24-5-9)29-8(2)15(18,19)20;1-3-4-7-25-14-6-5-11(8-20-14)12-10-23-13(9-19-12)21-22-15(23)16(17,18)24-2;1-7-11(8-3-9(16)12(23-4-8)28-6-14(17,18)19)22-5-10-24-25-13(26(7)10)15(20,21)27-2;2*1-8(14(16,17)18)27-12-4-3-9(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(19,20)26-2/h4-8,10H,2-3H2,1H3;7-10H,3-6H2,1-2H3;4-6,8H,1-3H3;5-6,8-10H,3-4,7H2,1-2H3;3-5H,6H2,1-2H3;2*3-8H,1-2H3/t8-;;8-;;;2*8-/m0.1..10/s1.
What are the key properties of 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 2771.15 g/mol, XLogP of 23.89, 41 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-butoxy-5-fluoro-3-pyridinyl)-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-(6-butoxy-3-pyridinyl)-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159265670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).