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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine

C131H96F33N27O7 — CID 158390335

IUPAC1-[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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
SMILESCC(F)(F)c1nc(C#N)c2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C4(C#N)CC4)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)c1ncc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cnc2cnc(C(C)(F)F)n2c1.COc1cc(C2(C#N)CC2)ccc1-c1cnc2cnc(C(C)(F)F)n2c1.Cc1nc(C(C)(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)cnc12
InChIInChI=1S/C19H16F2N4O.C18H14F2N4.C17H14F5N3O2.C16H9F5N4O.C16H12F5N3O.C15H10F5N3O.C15H10F5N3.C15H11F4N3O/c1-18(20,21)17-24-9-16-23-8-12(10-25(16)17)14-4-3-13(7-15(14)26-2)19(11-22)5-6-19;1-17(19,20)16-23-9-15-22-8-13(10-24(15)16)12-2-4-14(5-3-12)18(11-21)6-7-18;1-16(18,19)15-24-7-14-23-6-11(8-25(14)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;1-15(17,18)14-24-12(6-22)13-23-7-10(8-25(13)14)9-2-4-11(5-3-9)26-16(19,20)21;1-9-13-22-7-11(8-24(13)14(23-9)15(2,17)18)10-3-5-12(6-4-10)25-16(19,20)21;1-14(16,17)13-22-7-12-21-6-10(8-23(12)13)9-2-4-11(5-3-9)24-15(18,19)20;1-14(16,17)13-22-7-12-21-6-10(8-23(12)13)9-2-4-11(5-3-9)15(18,19)20;1-9(16)14-21-7-13-20-6-11(8-22(13)14)10-2-4-12(5-3-10)23-15(17,18)19/h3-4,7-10H,5-6H2,1-2H3;2-5,8-10H,6-7H2,1H3;3-8H,9H2,1-2H3;2-5,7-8H,1H3;3-8H,1-2H3;2-8H,1H3;2-8H,1H3;2-9H,1H3
InChIKeyGWWNXJIUXUFUTH-UHFFFAOYSA-N
MW2787.32 g/mol
LogP34.94
Rot. Bonds26

About 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine

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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine (PubChem CID 158390335) has the molecular formula C131H96F33N27O7 and a molecular weight of 2787.32 g/mol. Its IUPAC name is 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1-[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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
PubChem CID158390335
Molecular FormulaC131H96F33N27O7
Molecular Weight2787.32 g/mol
Exact Mass2785.75
IUPAC Name1-[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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
SMILESCC(F)(F)c1nc(C#N)c2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C4(C#N)CC4)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)c1ncc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cnc2cnc(C(C)(F)F)n2c1.COc1cc(C2(C#N)CC2)ccc1-c1cnc2cnc(C(C)(F)F)n2c1.Cc1nc(C(C)(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)cnc12
InChIInChI=1S/C19H16F2N4O.C18H14F2N4.C17H14F5N3O2.C16H9F5N4O.C16H12F5N3O.C15H10F5N3O.C15H10F5N3.C15H11F4N3O/c1-18(20,21)17-24-9-16-23-8-12(10-25(16)17)14-4-3-13(7-15(14)26-2)19(11-22)5-6-19;1-17(19,20)16-23-9-15-22-8-13(10-24(15)16)12-2-4-14(5-3-12)18(11-21)6-7-18;1-16(18,19)15-24-7-14-23-6-11(8-25(14)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;1-15(17,18)14-24-12(6-22)13-23-7-10(8-25(13)14)9-2-4-11(5-3-9)26-16(19,20)21;1-9-13-22-7-11(8-24(13)14(23-9)15(2,17)18)10-3-5-12(6-4-10)25-16(19,20)21;1-14(16,17)13-22-7-12-21-6-10(8-23(12)13)9-2-4-11(5-3-9)24-15(18,19)20;1-14(16,17)13-22-7-12-21-6-10(8-23(12)13)9-2-4-11(5-3-9)15(18,19)20;1-9(16)14-21-7-13-20-6-11(8-22(13)14)10-2-4-12(5-3-10)23-15(17,18)19/h3-4,7-10H,5-6H2,1-2H3;2-5,8-10H,6-7H2,1H3;3-8H,9H2,1-2H3;2-5,7-8H,1H3;3-8H,1-2H3;2-8H,1H3;2-8H,1H3;2-9H,1H3
InChIKeyGWWNXJIUXUFUTH-UHFFFAOYSA-N
XLogP34.94
TPSA377.50 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002787.32
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine with MolForge

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Related Compounds

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
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362261
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile
CID 142362272
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carbonitrile
CID 142362291
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
CID 142362293
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
CID 142362295
1-[4-[3-(1,1-Difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142362552
1-[4-[3-(1,1-Difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142362554
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
12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157102871
6-(4-Cyclopropyl-2-methoxyphenyl)-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157179546

Frequently Asked Questions

What is the IUPAC name of 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
The IUPAC name of 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine (CID 158390335) is 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
The canonical SMILES for 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine is CC(F)(F)c1nc(C#N)c2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(C4(C#N)CC4)cc3)cn12.CC(F)(F)c1ncc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)c1ncc2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cnc2cnc(C(C)(F)F)n2c1.COc1cc(C2(C#N)CC2)ccc1-c1cnc2cnc(C(C)(F)F)n2c1.Cc1nc(C(C)(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)cnc12.
What is the InChIKey of 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
The InChIKey is GWWNXJIUXUFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O.C18H14F2N4.C17H14F5N3O2.C16H9F5N4O.C16H12F5N3O.C15H10F5N3O.C15H10F5N3.C15H11F4N3O/c1-18(20,21)17-24-9-16-23-8-12(10-25(16)17)14-4-3-13(7-15(14)26-2)19(11-22)5-6-19;1-17(19,20)16-23-9-15-22-8-13(10-24(15)16)12-2-4-14(5-3-12)18(11-21)6-7-18;1-16(18,19)15-24-7-14-23-6-11(8-25(14)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;1-15(17,18)14-24-12(6-22)13-23-7-10(8-25(13)14)9-2-4-11(5-3-9)26-16(19,20)21;1-9-13-22-7-11(8-24(13)14(23-9)15(2,17)18)10-3-5-12(6-4-10)25-16(19,20)21;1-14(16,17)13-22-7-12-21-6-10(8-23(12)13)9-2-4-11(5-3-9)24-15(18,19)20;1-14(16,17)13-22-7-12-21-6-10(8-23(12)13)9-2-4-11(5-3-9)15(18,19)20;1-9(16)14-21-7-13-20-6-11(8-22(13)14)10-2-4-12(5-3-10)23-15(17,18)19/h3-4,7-10H,5-6H2,1-2H3;2-5,8-10H,6-7H2,1H3;3-8H,9H2,1-2H3;2-5,7-8H,1H3;3-8H,1-2H3;2-8H,1H3;2-8H,1H3;2-9H,1H3.
What are the key properties of 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine has a molecular weight of 2787.32 g/mol, XLogP of 34.94, 26 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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;6-(1,1-difluoroethyl)-3-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine;6-(1-fluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 158390335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).