2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C137H114F22N40O7S2 — CID 162225416

IUPAC2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3csnc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3nncn3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3ncnn23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3nncn23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3scnc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccc2CC#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C21H18F3N5O.2C20H16F3N5OS.C19H16F4N4O.3C19H16F3N7O/c1-12-10-16(15-5-3-2-4-13(15)8-9-25)27-19-17(26-11-29(12)19)20(30)28-18(14-6-7-14)21(22,23)24;1-10-6-14(12-4-5-13-8-30-27-15(13)7-12)25-18-16(24-9-28(10)18)19(29)26-17(11-2-3-11)20(21,22)23;1-10-7-13(12-3-2-4-14-15(12)25-9-30-14)26-18-16(24-8-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-10-8-14(11-4-6-13(20)7-5-11)25-17-15(24-9-27(10)17)18(28)26-16(12-2-3-12)19(21,22)23;1-10-6-13(12-4-5-14-27-24-9-28(14)7-12)25-17-15(23-8-29(10)17)18(30)26-16(11-2-3-11)19(20,21)22;1-10-7-12(13-3-2-4-14-27-24-9-29(13)14)25-17-15(23-8-28(10)17)18(30)26-16(11-5-6-11)19(20,21)22;1-10-7-12(13-3-2-4-14-23-8-25-29(13)14)26-17-15(24-9-28(10)17)18(30)27-16(11-5-6-11)19(20,21)22/h2-5,10-11,14,18H,6-8H2,1H3,(H,28,30);4-9,11,17H,2-3H2,1H3,(H,26,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);4-9,12,16H,2-3H2,1H3,(H,26,28);4-9,11,16H,2-3H2,1H3,(H,26,30);2-4,7-9,11,16H,5-6H2,1H3,(H,26,30);2-4,7-9,11,16H,5-6H2,1H3,(H,27,30)
InChIKeyZURPDOXAAWCHHJ-UHFFFAOYSA-N
MW2914.78 g/mol
LogP24.98
Rot. Bonds29

About 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 162225416) has the molecular formula C137H114F22N40O7S2 and a molecular weight of 2914.78 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID162225416
Molecular FormulaC137H114F22N40O7S2
Molecular Weight2914.78 g/mol
Exact Mass2912.89
IUPAC Name2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3csnc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3nncn3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3ncnn23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3nncn23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3scnc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccc2CC#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C21H18F3N5O.2C20H16F3N5OS.C19H16F4N4O.3C19H16F3N7O/c1-12-10-16(15-5-3-2-4-13(15)8-9-25)27-19-17(26-11-29(12)19)20(30)28-18(14-6-7-14)21(22,23)24;1-10-6-14(12-4-5-13-8-30-27-15(13)7-12)25-18-16(24-9-28(10)18)19(29)26-17(11-2-3-11)20(21,22)23;1-10-7-13(12-3-2-4-14-15(12)25-9-30-14)26-18-16(24-8-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-10-8-14(11-4-6-13(20)7-5-11)25-17-15(24-9-27(10)17)18(28)26-16(12-2-3-12)19(21,22)23;1-10-6-13(12-4-5-14-27-24-9-28(14)7-12)25-17-15(23-8-29(10)17)18(30)26-16(11-2-3-11)19(20,21)22;1-10-7-12(13-3-2-4-14-27-24-9-29(13)14)25-17-15(23-8-28(10)17)18(30)26-16(11-5-6-11)19(20,21)22;1-10-7-12(13-3-2-4-14-23-8-25-29(13)14)26-17-15(24-9-28(10)17)18(30)27-16(11-5-6-11)19(20,21)22/h2-5,10-11,14,18H,6-8H2,1H3,(H,28,30);4-9,11,17H,2-3H2,1H3,(H,26,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);4-9,12,16H,2-3H2,1H3,(H,26,28);4-9,11,16H,2-3H2,1H3,(H,26,30);2-4,7-9,11,16H,5-6H2,1H3,(H,26,30);2-4,7-9,11,16H,5-6H2,1H3,(H,27,30)
InChIKeyZURPDOXAAWCHHJ-UHFFFAOYSA-N
XLogP24.98
TPSA555.17 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002914.78
LogP ≤ 524.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Analyze 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 162225416) is 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3csnc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3nncn3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3ncnn23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3nncn23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3scnc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccc2CC#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is ZURPDOXAAWCHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O.2C20H16F3N5OS.C19H16F4N4O.3C19H16F3N7O/c1-12-10-16(15-5-3-2-4-13(15)8-9-25)27-19-17(26-11-29(12)19)20(30)28-18(14-6-7-14)21(22,23)24;1-10-6-14(12-4-5-13-8-30-27-15(13)7-12)25-18-16(24-9-28(10)18)19(29)26-17(11-2-3-11)20(21,22)23;1-10-7-13(12-3-2-4-14-15(12)25-9-30-14)26-18-16(24-8-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-10-8-14(11-4-6-13(20)7-5-11)25-17-15(24-9-27(10)17)18(28)26-16(12-2-3-12)19(21,22)23;1-10-6-13(12-4-5-14-27-24-9-28(14)7-12)25-17-15(23-8-29(10)17)18(30)26-16(11-2-3-11)19(20,21)22;1-10-7-12(13-3-2-4-14-27-24-9-29(13)14)25-17-15(23-8-28(10)17)18(30)26-16(11-5-6-11)19(20,21)22;1-10-7-12(13-3-2-4-14-23-8-25-29(13)14)26-17-15(24-9-28(10)17)18(30)27-16(11-5-6-11)19(20,21)22/h2-5,10-11,14,18H,6-8H2,1H3,(H,28,30);4-9,11,17H,2-3H2,1H3,(H,26,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);4-9,12,16H,2-3H2,1H3,(H,26,28);4-9,11,16H,2-3H2,1H3,(H,26,30);2-4,7-9,11,16H,5-6H2,1H3,(H,26,30);2-4,7-9,11,16H,5-6H2,1H3,(H,27,30).
What are the key properties of 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 2914.78 g/mol, XLogP of 24.98, 29 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 162225416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).