2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C78H62F13N21O4S — CID 157433969

IUPAC2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc(C#N)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc(F)c2C#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccc2CC#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.[C-]#[N+]c1ccsc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C21H18F3N5O.C20H15F4N5O.C19H15F3N6O.C18H14F3N5OS/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;1-10-7-15(12-3-2-4-14(21)13(12)8-25)27-18-16(26-9-29(10)18)19(30)28-17(11-5-6-11)20(22,23)24;1-10-7-14(13-4-2-3-12(8-23)25-13)26-17-15(24-9-28(10)17)18(29)27-16(11-5-6-11)19(20,21)22;1-9-7-12(14-11(22-2)5-6-28-14)24-16-13(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21/h2-5,10-11,14,18H,6-8H2,1H3,(H,28,30);2-4,7,9,11,17H,5-6H2,1H3,(H,28,30);2-4,7,9,11,16H,5-6H2,1H3,(H,27,29);5-8,10,15H,3-4H2,1H3,(H,25,27)
InChIKeyBQWJORNPSMGJJJ-UHFFFAOYSA-N
MW1636.54 g/mol
LogP15.06
Rot. Bonds17

About 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 157433969) has the molecular formula C78H62F13N21O4S and a molecular weight of 1636.54 g/mol. Its IUPAC name is 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID157433969
Molecular FormulaC78H62F13N21O4S
Molecular Weight1636.54 g/mol
Exact Mass1635.48
IUPAC Name2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc(C#N)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc(F)c2C#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccc2CC#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.[C-]#[N+]c1ccsc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C21H18F3N5O.C20H15F4N5O.C19H15F3N6O.C18H14F3N5OS/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;1-10-7-15(12-3-2-4-14(21)13(12)8-25)27-18-16(26-9-29(10)18)19(30)28-17(11-5-6-11)20(22,23)24;1-10-7-14(13-4-2-3-12(8-23)25-13)26-17-15(24-9-28(10)17)18(29)27-16(11-5-6-11)19(20,21)22;1-9-7-12(14-11(22-2)5-6-28-14)24-16-13(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21/h2-5,10-11,14,18H,6-8H2,1H3,(H,28,30);2-4,7,9,11,17H,5-6H2,1H3,(H,28,30);2-4,7,9,11,16H,5-6H2,1H3,(H,27,29);5-8,10,15H,3-4H2,1H3,(H,25,27)
InChIKeyBQWJORNPSMGJJJ-UHFFFAOYSA-N
XLogP15.06
TPSA325.78 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.54
LogP ≤ 515.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[6-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]pyrazin-2-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide;(2S)-N-[5-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide
CID 157379989
2-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-5-yl]methyl]benzonitrile;3-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-5-yl]methyl]benzonitrile;2-[(3R)-3-aminopiperidin-1-yl]-3-(cyclobutylmethyl)-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[(3R)-3-aminopiperidin-1-yl]-3-[(2,2-difluorocyclopropyl)methyl]-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorothiophen-2-yl)methyl]-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-[(4-methylquinazolin-2-yl)methyl]-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl]methyl]benzonitrile;(7S)-3-but-2-ynyl-7-methyl-2-[(3R)-3-methylpiperidin-1-yl]-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one
CID 157969840
2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158289268
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2,2,2-trifluoroethyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(3,3,3-trifluoropropyl)purin-7-yl]propanamide;N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]acetamide
CID 158692632
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;1,3-dimethyl-8-phenyl-7-[2-(4-thiophen-3-ylanilino)ethyl]purine-2,6-dione;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 160386005
(7S)-2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-7-methyl-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-5-yl]methyl]benzonitrile;3-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-5-yl]methyl]benzonitrile;2-[(3R)-3-aminopiperidin-1-yl]-3-(cyclobutylmethyl)-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[(3R)-3-aminopiperidin-1-yl]-3-[(2,2-difluorocyclopropyl)methyl]-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorothiophen-2-yl)methyl]-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-[(4-methylquinazolin-2-yl)methyl]-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl]methyl]benzonitrile
CID 160704279
CID 161195271
CID 161195271
N-tert-butyl-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-2-(3,3-difluoropiperidin-1-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-4-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(dicyclopropylmethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 161628297
(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-2-pyridinyl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2,2,2-trifluoroethyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(3,3,3-trifluoropropyl)purin-7-yl]propanamide;N-[6-(3,4-difluorophenyl)-2-pyridinyl]-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]acetamide;molecular hydrogen
CID 162126002
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
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-N-(4-thiophen-3-ylphenyl)propanamide;(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)propanamide;(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)propanamide
CID 157524724

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 157433969) is 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2cccc(C#N)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc(F)c2C#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccc2CC#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.[C-]#[N+]c1ccsc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1.
What is the InChIKey of 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is BQWJORNPSMGJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O.C20H15F4N5O.C19H15F3N6O.C18H14F3N5OS/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;1-10-7-15(12-3-2-4-14(21)13(12)8-25)27-18-16(26-9-29(10)18)19(30)28-17(11-5-6-11)20(22,23)24;1-10-7-14(13-4-2-3-12(8-23)25-13)26-17-15(24-9-28(10)17)18(29)27-16(11-5-6-11)19(20,21)22;1-9-7-12(14-11(22-2)5-6-28-14)24-16-13(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21/h2-5,10-11,14,18H,6-8H2,1H3,(H,28,30);2-4,7,9,11,17H,5-6H2,1H3,(H,28,30);2-4,7,9,11,16H,5-6H2,1H3,(H,27,29);5-8,10,15H,3-4H2,1H3,(H,25,27).
What are the key properties of 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 1636.54 g/mol, XLogP of 15.06, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluorophenyl)-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;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 157433969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).