3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile

C116H70F38N28O7 — CID 158538288

IUPAC3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)(F)c1nc(C#N)c2cnc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1nc(C#N)c2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC(F)(F)c1ncc2ncc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC1(F)CC1c1nc(C#N)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1.N#Cc1nc(C(F)(F)F)n2cc(-c3cnc(OCC(F)(F)F)c(F)c3)ccc12
InChIInChI=1S/C19H13F4N3O.C18H13F5N4O2.C16H7F7N4O.C16H9F6N5O.C16H9F5N4O.C16H9F5N4.C15H10F6N4O/c1-18(20)8-14(18)17-25-15(9-24)16-7-4-12(10-26(16)17)11-2-5-13(6-3-11)27-19(21,22)23;1-17(19,20)16-26-13(6-24)15-7-25-14(8-27(15)16)12-4-3-11(29-18(21,22)23)5-10(12)9-28-2;17-10-3-9(5-25-13(10)28-7-15(18,19)20)8-1-2-12-11(4-24)26-14(16(21,22)23)27(12)6-8;1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)26-16(19,20)21;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)16(19,20)21;1-14(17,18)13-24-5-11-22-4-9(6-25(11)13)8-2-10(16)12(23-3-8)26-7-15(19,20)21/h2-7,10,14H,8H2,1H3;3-5,7-8H,9H2,1-2H3;1-3,5-6H,7H2;2,4-6H,7H2,1H3;2-5,7-8H,1H3;2-5,7-8H,1H3;2-6H,7H2,1H3
InChIKeyHOFBBTVCSOCVHT-UHFFFAOYSA-N
MW2689.95 g/mol
LogP30.29
Rot. Bonds24

About 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)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;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 158538288) has the molecular formula C116H70F38N28O7 and a molecular weight of 2689.95 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID158538288
Molecular FormulaC116H70F38N28O7
Molecular Weight2689.95 g/mol
Exact Mass2688.54
IUPAC Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)(F)c1nc(C#N)c2cnc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1nc(C#N)c2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC(F)(F)c1ncc2ncc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC1(F)CC1c1nc(C#N)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1.N#Cc1nc(C(F)(F)F)n2cc(-c3cnc(OCC(F)(F)F)c(F)c3)ccc12
InChIInChI=1S/C19H13F4N3O.C18H13F5N4O2.C16H7F7N4O.C16H9F6N5O.C16H9F5N4O.C16H9F5N4.C15H10F6N4O/c1-18(20)8-14(18)17-25-15(9-24)16-7-4-12(10-26(16)17)11-2-5-13(6-3-11)27-19(21,22)23;1-17(19,20)16-26-13(6-24)15-7-25-14(8-27(15)16)12-4-3-11(29-18(21,22)23)5-10(12)9-28-2;17-10-3-9(5-25-13(10)28-7-15(18,19)20)8-1-2-12-11(4-24)26-14(16(21,22)23)27(12)6-8;1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)26-16(19,20)21;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)16(19,20)21;1-14(17,18)13-24-5-11-22-4-9(6-25(11)13)8-2-10(16)12(23-3-8)26-7-15(19,20)21/h2-7,10,14H,8H2,1H3;3-5,7-8H,9H2,1-2H3;1-3,5-6H,7H2;2,4-6H,7H2,1H3;2-5,7-8H,1H3;2-5,7-8H,1H3;2-6H,7H2,1H3
InChIKeyHOFBBTVCSOCVHT-UHFFFAOYSA-N
XLogP30.29
TPSA431.57 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002689.95
LogP ≤ 530.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile 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
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
6-(1,1-Difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;ethane;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 142362283
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 158538288) is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile is CC(F)(F)c1nc(C#N)c2cnc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1nc(C#N)c2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC(F)(F)c1ncc2ncc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC1(F)CC1c1nc(C#N)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1.N#Cc1nc(C(F)(F)F)n2cc(-c3cnc(OCC(F)(F)F)c(F)c3)ccc12.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is HOFBBTVCSOCVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O.C18H13F5N4O2.C16H7F7N4O.C16H9F6N5O.C16H9F5N4O.C16H9F5N4.C15H10F6N4O/c1-18(20)8-14(18)17-25-15(9-24)16-7-4-12(10-26(16)17)11-2-5-13(6-3-11)27-19(21,22)23;1-17(19,20)16-26-13(6-24)15-7-25-14(8-27(15)16)12-4-3-11(29-18(21,22)23)5-10(12)9-28-2;17-10-3-9(5-25-13(10)28-7-15(18,19)20)8-1-2-12-11(4-24)26-14(16(21,22)23)27(12)6-8;1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)26-16(19,20)21;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)16(19,20)21;1-14(17,18)13-24-5-11-22-4-9(6-25(11)13)8-2-10(16)12(23-3-8)26-7-15(19,20)21/h2-7,10,14H,8H2,1H3;3-5,7-8H,9H2,1-2H3;1-3,5-6H,7H2;2,4-6H,7H2,1H3;2-5,7-8H,1H3;2-5,7-8H,1H3;2-6H,7H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)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;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 2689.95 g/mol, XLogP of 30.29, 24 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[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;3-(2-fluoro-2-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 158538288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).