6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine

C33H32F8N10O4 — CID 153370775

IUPAC6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(C)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(C)(F)F)c(C)c3)c(C)n12
InChIInChI=1S/C17H17F4N5O2.C16H15F4N5O2/c1-9-5-11(6-23-14(9)28-8-16(3,18)19)13-10(2)26-12(7-22-13)24-25-15(26)17(20,21)27-4;1-9(15(2,17)18)27-13-5-4-10(6-22-13)11-8-25-12(7-21-11)23-24-14(25)16(19,20)26-3/h5-7H,8H2,1-4H3;4-9H,1-3H3/t;9-/m.1/s1
InChIKeySCVDHLMRCPHUGX-YYVQYPFISA-N
MW784.67 g/mol
LogP6.84
Rot. Bonds12

About 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine

6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153370775) has the molecular formula C33H32F8N10O4 and a molecular weight of 784.67 g/mol. Its IUPAC name is 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID153370775
Molecular FormulaC33H32F8N10O4
Molecular Weight784.67 g/mol
Exact Mass784.25
IUPAC Name6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(C)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(C)(F)F)c(C)c3)c(C)n12
InChIInChI=1S/C17H17F4N5O2.C16H15F4N5O2/c1-9-5-11(6-23-14(9)28-8-16(3,18)19)13-10(2)26-12(7-22-13)24-25-15(26)17(20,21)27-4;1-9(15(2,17)18)27-13-5-4-10(6-22-13)11-8-25-12(7-21-11)23-24-14(25)16(19,20)26-3/h5-7H,8H2,1-4H3;4-9H,1-3H3/t;9-/m.1/s1
InChIKeySCVDHLMRCPHUGX-YYVQYPFISA-N
XLogP6.84
TPSA148.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500784.67
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
Prax-562
CID 147075611
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383
7-[4-(2,6-Dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(ethoxymethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66787433
4-[2-Methyl-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139180
4-(5-(6-(1H-Tetrazol-5-yl)pyridin-3-yl)-2-((quinolin-2-yloxy)methyl)imidazo[1,2-a]pyrazin-8-yl)morpholine
CID 86345940
WO2022090481, Example I-030
CID 164514170

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 153370775) is 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine is COC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(C)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(C)(F)F)c(C)c3)c(C)n12.
What is the InChIKey of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SCVDHLMRCPHUGX-YYVQYPFISA-N. The full InChI is InChI=1S/C17H17F4N5O2.C16H15F4N5O2/c1-9-5-11(6-23-14(9)28-8-16(3,18)19)13-10(2)26-12(7-22-13)24-25-15(26)17(20,21)27-4;1-9(15(2,17)18)27-13-5-4-10(6-22-13)11-8-25-12(7-21-11)23-24-14(25)16(19,20)26-3/h5-7H,8H2,1-4H3;4-9H,1-3H3/t;9-/m.1/s1.
What are the key properties of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 784.67 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153370775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).