N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide

C122H121F11N30O8 — CID 160748673

IUPACN-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(N2CCC(C)(C)C2=O)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cc(F)cc(C#N)c2)nc2c(C(=O)NC(C)(C)C)ncn12.Cc1cc(-c2cc(F)cc(C#N)c2)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cc(F)ccc2C#N)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cccc(C(N)=O)c2)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2ccccc2C#N)nc2c(C(=O)NC(C)(C)C)ncn12
InChIInChI=1S/2C21H18F3N5O.C21H27F2N5O2.C21H21F2N5O2.C19H18FN5O.C19H19N5O/c1-11-5-16(14-6-12(9-25)7-15(22)8-14)27-19-17(26-10-29(11)19)20(30)28-18(13-3-4-13)21(2,23)24;1-11-7-16(15-8-14(22)6-5-13(15)9-25)27-19-17(26-10-29(11)19)20(30)28-18(12-3-4-12)21(2,23)24;1-5-13-10-14(27-9-8-20(2,3)19(27)30)25-17-15(24-11-28(13)17)18(29)26-16(12-6-7-12)21(4,22)23;1-11-8-15(13-4-3-5-14(9-13)18(24)29)26-19-16(25-10-28(11)19)20(30)27-17(12-6-7-12)21(2,22)23;1-11-5-15(13-6-12(9-21)7-14(20)8-13)23-17-16(22-10-25(11)17)18(26)24-19(2,3)4;1-12-9-15(14-8-6-5-7-13(14)10-20)22-17-16(21-11-24(12)17)18(25)23-19(2,3)4/h5-8,10,13,18H,3-4H2,1-2H3,(H,28,30);5-8,10,12,18H,3-4H2,1-2H3,(H,28,30);10-12,16H,5-9H2,1-4H3,(H,26,29);3-5,8-10,12,17H,6-7H2,1-2H3,(H2,24,29)(H,27,30);5-8,10H,1-4H3,(H,24,26);5-9,11H,1-4H3,(H,23,25)
InChIKeyRWNHOZYFOGLLSW-UHFFFAOYSA-N
MW2344.49 g/mol
LogP20.29
Rot. Bonds26

About N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide

N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 160748673) has the molecular formula C122H121F11N30O8 and a molecular weight of 2344.49 g/mol. Its IUPAC name is N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID160748673
Molecular FormulaC122H121F11N30O8
Molecular Weight2344.49 g/mol
Exact Mass2342.98
IUPAC NameN-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(N2CCC(C)(C)C2=O)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cc(F)cc(C#N)c2)nc2c(C(=O)NC(C)(C)C)ncn12.Cc1cc(-c2cc(F)cc(C#N)c2)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cc(F)ccc2C#N)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cccc(C(N)=O)c2)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2ccccc2C#N)nc2c(C(=O)NC(C)(C)C)ncn12
InChIInChI=1S/2C21H18F3N5O.C21H27F2N5O2.C21H21F2N5O2.C19H18FN5O.C19H19N5O/c1-11-5-16(14-6-12(9-25)7-15(22)8-14)27-19-17(26-10-29(11)19)20(30)28-18(13-3-4-13)21(2,23)24;1-11-7-16(15-8-14(22)6-5-13(15)9-25)27-19-17(26-10-29(11)19)20(30)28-18(12-3-4-12)21(2,23)24;1-5-13-10-14(27-9-8-20(2,3)19(27)30)25-17-15(24-11-28(13)17)18(29)26-16(12-6-7-12)21(4,22)23;1-11-8-15(13-4-3-5-14(9-13)18(24)29)26-19-16(25-10-28(11)19)20(30)27-17(12-6-7-12)21(2,22)23;1-11-5-15(13-6-12(9-21)7-14(20)8-13)23-17-16(22-10-25(11)17)18(26)24-19(2,3)4;1-12-9-15(14-8-6-5-7-13(14)10-20)22-17-16(21-11-24(12)17)18(25)23-19(2,3)4/h5-8,10,13,18H,3-4H2,1-2H3,(H,28,30);5-8,10,12,18H,3-4H2,1-2H3,(H,28,30);10-12,16H,5-9H2,1-4H3,(H,26,29);3-5,8-10,12,17H,6-7H2,1-2H3,(H2,24,29)(H,27,30);5-8,10H,1-4H3,(H,24,26);5-9,11H,1-4H3,(H,23,25)
InChIKeyRWNHOZYFOGLLSW-UHFFFAOYSA-N
XLogP20.29
TPSA514.30 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002344.49
LogP ≤ 520.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[(3Z)-4-[5-(4-cyanophenyl)-1-methylimidazol-2-yl]buta-1,3-dien-2-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 134505018
5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methylpyridin-3-yl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methylpyridin-3-yl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
CID 137390007
8-(dimethylamino)-3-(3H-inden-1-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-fluoropyridine-3-carbonitrile;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carboxamide;4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;8-(dimethylamino)-8-phenyl-3-(1-propan-2-ylindol-4-yl)-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 157093276
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157096621
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
(3S)-3'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-5-carbonitrile;(6S)-3-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,5'-7H-pyrrolo[2,3-d]pyrimidine]-6'-one;(3S)-3'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;(6S)-3-[2-[(3R,5S,6R)-6-methyl-2-oxo-5-phenyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-3-yl]acetyl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,5'-7H-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 157267903
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408
CID 157708815
CID 157708815
1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-cyclopropylpyrazole-3-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5H-imidazo[4,5-c]pyridin-4-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-cyclopropyl-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 157746515
5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide;N-[8-amino-6-(6-methylimidazo[1,2-a]pyridin-7-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157846066
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 158280411
bis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158300245

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 160748673) is N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide is CCc1cc(N2CCC(C)(C)C2=O)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cc(F)cc(C#N)c2)nc2c(C(=O)NC(C)(C)C)ncn12.Cc1cc(-c2cc(F)cc(C#N)c2)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cc(F)ccc2C#N)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2cccc(C(N)=O)c2)nc2c(C(=O)NC(C3CC3)C(C)(F)F)ncn12.Cc1cc(-c2ccccc2C#N)nc2c(C(=O)NC(C)(C)C)ncn12.
What is the InChIKey of N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is RWNHOZYFOGLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18F3N5O.C21H27F2N5O2.C21H21F2N5O2.C19H18FN5O.C19H19N5O/c1-11-5-16(14-6-12(9-25)7-15(22)8-14)27-19-17(26-10-29(11)19)20(30)28-18(13-3-4-13)21(2,23)24;1-11-7-16(15-8-14(22)6-5-13(15)9-25)27-19-17(26-10-29(11)19)20(30)28-18(12-3-4-12)21(2,23)24;1-5-13-10-14(27-9-8-20(2,3)19(27)30)25-17-15(24-11-28(13)17)18(29)26-16(12-6-7-12)21(4,22)23;1-11-8-15(13-4-3-5-14(9-13)18(24)29)26-19-16(25-10-28(11)19)20(30)27-17(12-6-7-12)21(2,22)23;1-11-5-15(13-6-12(9-21)7-14(20)8-13)23-17-16(22-10-25(11)17)18(26)24-19(2,3)4;1-12-9-15(14-8-6-5-7-13(14)10-20)22-17-16(21-11-24(12)17)18(25)23-19(2,3)4/h5-8,10,13,18H,3-4H2,1-2H3,(H,28,30);5-8,10,12,18H,3-4H2,1-2H3,(H,28,30);10-12,16H,5-9H2,1-4H3,(H,26,29);3-5,8-10,12,17H,6-7H2,1-2H3,(H2,24,29)(H,27,30);5-8,10H,1-4H3,(H,24,26);5-9,11H,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 2344.49 g/mol, XLogP of 20.29, 26 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-cyano-5-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-2-(2-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-carbamoylphenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-5-fluorophenyl)-N-(1-cyclopropyl-2,2-difluoropropyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2-difluoropropyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 160748673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).