1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine

C128H104F39N31O10 — CID 159872329

IUPAC1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine
SMILESCC(F)c1ncn2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12.CC(F)c1ncn2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cc12.CC(F)c1ncn2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cc12.COCc1ncn2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cc12.COCc1ncn2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cc12.C[C@@H](Oc1ncc(-c2cc3c(C(C)(F)F)ncn3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cc3c(C(C)(F)F)ncn3cn2)cc1F)C(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C(C)F)ncn2cn1
InChIInChI=1S/C17H15F5N4O.2C16H12F6N4O.C16H13F5N4O.2C16H14F4N4O2.C16H13F4N3O.C15H11F5N4O/c1-9(18)14-13-5-12(24-7-26(13)8-25-14)10-4-11(19)15(23-6-10)27-16(2,3)17(20,21)22;2*1-8(16(20,21)22)27-14-10(17)3-9(5-23-14)11-4-12-13(15(2,18)19)25-7-26(12)6-24-11;1-8(17)14-13-4-12(23-6-25(13)7-24-14)10-3-11(18)15(22-5-10)26-9(2)16(19,20)21;2*1-9(16(18,19)20)26-15-11(17)3-10(5-21-15)12-4-14-13(6-25-2)23-8-24(14)7-22-12;1-9-5-11(24-16(18,19)20)3-4-12(9)13-6-14-15(10(2)17)22-8-23(14)7-21-13;1-8(16)13-12-3-11(22-6-24(12)7-23-13)9-2-10(17)14(21-4-9)25-5-15(18,19)20/h4-9H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;2*3-5,7-9H,6H2,1-2H3;3-8,10H,1-2H3;2-4,6-8H,5H2,1H3/t;2*8-;8?,9-;2*9-;;/m.10010../s1
InChIKeyNSMXMUHKLCWQML-PAIYGBOGSA-N
MW2977.37 g/mol
LogP33.06
Rot. Bonds33

About 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine

1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine (PubChem CID 159872329) has the molecular formula C128H104F39N31O10 and a molecular weight of 2977.37 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine
PubChem CID159872329
Molecular FormulaC128H104F39N31O10
Molecular Weight2977.37 g/mol
Exact Mass2975.80
IUPAC Name1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine
SMILESCC(F)c1ncn2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12.CC(F)c1ncn2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cc12.CC(F)c1ncn2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cc12.COCc1ncn2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cc12.COCc1ncn2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cc12.C[C@@H](Oc1ncc(-c2cc3c(C(C)(F)F)ncn3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cc3c(C(C)(F)F)ncn3cn2)cc1F)C(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C(C)F)ncn2cn1
InChIInChI=1S/C17H15F5N4O.2C16H12F6N4O.C16H13F5N4O.2C16H14F4N4O2.C16H13F4N3O.C15H11F5N4O/c1-9(18)14-13-5-12(24-7-26(13)8-25-14)10-4-11(19)15(23-6-10)27-16(2,3)17(20,21)22;2*1-8(16(20,21)22)27-14-10(17)3-9(5-23-14)11-4-12-13(15(2,18)19)25-7-26(12)6-24-11;1-8(17)14-13-4-12(23-6-25(13)7-24-14)10-3-11(18)15(22-5-10)26-9(2)16(19,20)21;2*1-9(16(18,19)20)26-15-11(17)3-10(5-21-15)12-4-14-13(6-25-2)23-8-24(14)7-22-12;1-9-5-11(24-16(18,19)20)3-4-12(9)13-6-14-15(10(2)17)22-8-23(14)7-21-13;1-8(16)13-12-3-11(22-6-24(12)7-23-13)9-2-10(17)14(21-4-9)25-5-15(18,19)20/h4-9H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;2*3-5,7-9H,6H2,1-2H3;3-8,10H,1-2H3;2-4,6-8H,5H2,1H3/t;2*8-;8?,9-;2*9-;;/m.10010../s1
InChIKeyNSMXMUHKLCWQML-PAIYGBOGSA-N
XLogP33.06
TPSA424.05 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002977.37
LogP ≤ 533.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine with MolForge

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Related Compounds

WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
3-(2,2-Difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
CID 142362286
6-[5-Fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 142362550
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 142362602
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157071658
CID 157106431
CID 157106431
3-[difluoro(methoxy)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[[(2S)-oxan-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[[(2R)-oxan-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157150882
3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[difluoro(propan-2-yloxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157167221
3-[difluoro(2-methylpropoxy)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(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157207637

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine?
The IUPAC name of 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine (CID 159872329) is 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine.
What is the SMILES notation for 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine?
The canonical SMILES for 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine is CC(F)c1ncn2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12.CC(F)c1ncn2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cc12.CC(F)c1ncn2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cc12.COCc1ncn2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cc12.COCc1ncn2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cc12.C[C@@H](Oc1ncc(-c2cc3c(C(C)(F)F)ncn3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cc3c(C(C)(F)F)ncn3cn2)cc1F)C(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(C(C)F)ncn2cn1.
What is the InChIKey of 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine?
The InChIKey is NSMXMUHKLCWQML-PAIYGBOGSA-N. The full InChI is InChI=1S/C17H15F5N4O.2C16H12F6N4O.C16H13F5N4O.2C16H14F4N4O2.C16H13F4N3O.C15H11F5N4O/c1-9(18)14-13-5-12(24-7-26(13)8-25-14)10-4-11(19)15(23-6-10)27-16(2,3)17(20,21)22;2*1-8(16(20,21)22)27-14-10(17)3-9(5-23-14)11-4-12-13(15(2,18)19)25-7-26(12)6-24-11;1-8(17)14-13-4-12(23-6-25(13)7-24-14)10-3-11(18)15(22-5-10)26-9(2)16(19,20)21;2*1-9(16(18,19)20)26-15-11(17)3-10(5-21-15)12-4-14-13(6-25-2)23-8-24(14)7-22-12;1-9-5-11(24-16(18,19)20)3-4-12(9)13-6-14-15(10(2)17)22-8-23(14)7-21-13;1-8(16)13-12-3-11(22-6-24(12)7-23-13)9-2-10(17)14(21-4-9)25-5-15(18,19)20/h4-9H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;2*3-5,7-9H,6H2,1-2H3;3-8,10H,1-2H3;2-4,6-8H,5H2,1H3/t;2*8-;8?,9-;2*9-;;/m.10010../s1.
What are the key properties of 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine?
1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine has a molecular weight of 2977.37 g/mol, XLogP of 33.06, 33 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1,1-difluoroethyl)-7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]imidazo[1,5-c]pyrimidine;1-(1-fluoroethyl)-7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine;7-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1-(methoxymethyl)imidazo[1,5-c]pyrimidine is sourced from PubChem (CID 159872329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).