2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide

C125H124F3N31O8S2 — CID 159639595

IUPAC2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(Oc2ccccn2)nc2c(C(=O)NC(C)C3CC4(CCC4)C3)ncn12.Cc1cc(-c2ccc3scnc3c2)nc2c(C(=O)NC(C)C3CC3)ncn12.Cc1cc(-c2cccc3ncsc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccn2)nc2c(C(=O)NC(C)C(C)C3CC3)ncn12.Cc1cc(-c2cccnc2)nc2c(C(=O)NC(C)C(C)C3CC3)ncn12.Cc1cc(-c2cccnc2)nc2c(C(=O)Nc3ccc(-c4ccco4)cn3)ncn12
InChIInChI=1S/C23H27N5O2.C22H16N6O2.C20H16F3N5OS.C20H19N5OS.2C20H23N5O/c1-3-17-11-19(30-18-7-4-5-10-24-18)27-21-20(25-14-28(17)21)22(29)26-15(2)16-12-23(13-16)8-6-9-23;1-14-10-17(15-4-2-8-23-11-15)26-21-20(25-13-28(14)21)22(29)27-19-7-6-16(12-24-19)18-5-3-9-30-18;1-10-7-14(12-3-2-4-13-16(12)30-9-25-13)26-18-15(24-8-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-11-7-15(14-5-6-17-16(8-14)22-10-27-17)24-19-18(21-9-25(11)19)20(26)23-12(2)13-3-4-13;1-12-9-17(16-5-4-8-21-10-16)24-19-18(22-11-25(12)19)20(26)23-14(3)13(2)15-6-7-15;1-12-10-17(16-6-4-5-9-21-16)24-19-18(22-11-25(12)19)20(26)23-14(3)13(2)15-7-8-15/h4-5,7,10-11,14-16H,3,6,8-9,12-13H2,1-2H3,(H,26,29);2-13H,1H3,(H,24,27,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);5-10,12-13H,3-4H2,1-2H3,(H,23,26);4-5,8-11,13-15H,6-7H2,1-3H3,(H,23,26);4-6,9-11,13-15H,7-8H2,1-3H3,(H,23,26)
InChIKeyMQEJMVKBXAHDMO-UHFFFAOYSA-N
MW2309.70 g/mol
LogP22.94
Rot. Bonds28

About 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide

2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 159639595) has the molecular formula C125H124F3N31O8S2 and a molecular weight of 2309.70 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID159639595
Molecular FormulaC125H124F3N31O8S2
Molecular Weight2309.70 g/mol
Exact Mass2307.96
IUPAC Name2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(Oc2ccccn2)nc2c(C(=O)NC(C)C3CC4(CCC4)C3)ncn12.Cc1cc(-c2ccc3scnc3c2)nc2c(C(=O)NC(C)C3CC3)ncn12.Cc1cc(-c2cccc3ncsc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccn2)nc2c(C(=O)NC(C)C(C)C3CC3)ncn12.Cc1cc(-c2cccnc2)nc2c(C(=O)NC(C)C(C)C3CC3)ncn12.Cc1cc(-c2cccnc2)nc2c(C(=O)Nc3ccc(-c4ccco4)cn3)ncn12
InChIInChI=1S/C23H27N5O2.C22H16N6O2.C20H16F3N5OS.C20H19N5OS.2C20H23N5O/c1-3-17-11-19(30-18-7-4-5-10-24-18)27-21-20(25-14-28(17)21)22(29)26-15(2)16-12-23(13-16)8-6-9-23;1-14-10-17(15-4-2-8-23-11-15)26-21-20(25-13-28(14)21)22(29)27-19-7-6-16(12-24-19)18-5-3-9-30-18;1-10-7-14(12-3-2-4-13-16(12)30-9-25-13)26-18-15(24-8-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-11-7-15(14-5-6-17-16(8-14)22-10-27-17)24-19-18(21-9-25(11)19)20(26)23-12(2)13-3-4-13;1-12-9-17(16-5-4-8-21-10-16)24-19-18(22-11-25(12)19)20(26)23-14(3)13(2)15-6-7-15;1-12-10-17(16-6-4-5-9-21-16)24-19-18(22-11-25(12)19)20(26)23-14(3)13(2)15-7-8-15/h4-5,7,10-11,14-16H,3,6,8-9,12-13H2,1-2H3,(H,26,29);2-13H,1H3,(H,24,27,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);5-10,12-13H,3-4H2,1-2H3,(H,23,26);4-5,8-11,13-15H,6-7H2,1-3H3,(H,23,26);4-6,9-11,13-15H,7-8H2,1-3H3,(H,23,26)
InChIKeyMQEJMVKBXAHDMO-UHFFFAOYSA-N
XLogP22.94
TPSA468.34 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002309.70
LogP ≤ 522.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
CID 157721749
CID 157721749
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-tert-butyl-4-methyl-2-(1,3-thiazol-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(3-fluoro-5-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(1,3-thiazol-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 161881278
5-(1,3-benzothiazol-5-yl)-N-[(1S)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzothiazol-5-yl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(furan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyanofuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-isocyanothiophen-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164107750
N-(2-cyclopropyl-2-methylpropanoyl)-2-(furan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropyl-2-methylpropanoyl)-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(4-propan-2-yloxycyclohexanecarbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propan-2-yloxycyclohexanecarbonyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-(spiro[3.3]heptane-2-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157266860
N-(1-cyclobutylethyl)-4-methyl-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-3-methylbutyl)-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-N-(4-propoxycyclohexyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(furan-2-yl)-4-methyl-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-(4-propan-2-yloxyphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158227371
5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 161090826
2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butyl-5,7-dihydrofuro[3,4-d]pyrimidine;2,4-ditert-butyl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one;1-(2,4-ditert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone;2,4-ditert-butylfuro[2,3-d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;2,4-ditert-butyl-5-methylpyrrolo[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine
CID 161723907
N-(1-cyclopropylethyl)-4-methyl-2-pyrrolidin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2-(4-fluorophenyl)-N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;4-methyl-2-morpholin-4-yl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;4-methyl-N-[1-(4-propoxycyclohexyl)ethyl]-2-pyridin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;4-methyl-N-[2-(4-propoxycyclohexyl)ethyl]-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(1-thiophen-2-ylethyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 162251189
5-tert-butylthieno[2,3-c]pyridine;methane;2-methylidene-5-propan-2-yl-1,3-dihydropyrrolo[2,3-c]pyridine;bis(3-propan-2-yl-5H-cyclopenta[c]pyridine);5-propan-2-ylfuro[2,3-c]pyridine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-ylimidazo[1,2-c]pyrimidine;6-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;3-propan-2-ylpyrrolo[1,2-a]pyrazine;bis(5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine);3-propan-2-ylpyrrolo[1,2-c]pyrimidine;6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;bis(6-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine)
CID 165111117

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 159639595) is 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide is CCc1cc(Oc2ccccn2)nc2c(C(=O)NC(C)C3CC4(CCC4)C3)ncn12.Cc1cc(-c2ccc3scnc3c2)nc2c(C(=O)NC(C)C3CC3)ncn12.Cc1cc(-c2cccc3ncsc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccccn2)nc2c(C(=O)NC(C)C(C)C3CC3)ncn12.Cc1cc(-c2cccnc2)nc2c(C(=O)NC(C)C(C)C3CC3)ncn12.Cc1cc(-c2cccnc2)nc2c(C(=O)Nc3ccc(-c4ccco4)cn3)ncn12.
What is the InChIKey of 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is MQEJMVKBXAHDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.C22H16N6O2.C20H16F3N5OS.C20H19N5OS.2C20H23N5O/c1-3-17-11-19(30-18-7-4-5-10-24-18)27-21-20(25-14-28(17)21)22(29)26-15(2)16-12-23(13-16)8-6-9-23;1-14-10-17(15-4-2-8-23-11-15)26-21-20(25-13-28(14)21)22(29)27-19-7-6-16(12-24-19)18-5-3-9-30-18;1-10-7-14(12-3-2-4-13-16(12)30-9-25-13)26-18-15(24-8-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-11-7-15(14-5-6-17-16(8-14)22-10-27-17)24-19-18(21-9-25(11)19)20(26)23-12(2)13-3-4-13;1-12-9-17(16-5-4-8-21-10-16)24-19-18(22-11-25(12)19)20(26)23-14(3)13(2)15-6-7-15;1-12-10-17(16-6-4-5-9-21-16)24-19-18(22-11-25(12)19)20(26)23-14(3)13(2)15-7-8-15/h4-5,7,10-11,14-16H,3,6,8-9,12-13H2,1-2H3,(H,26,29);2-13H,1H3,(H,24,27,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);5-10,12-13H,3-4H2,1-2H3,(H,23,26);4-5,8-11,13-15H,6-7H2,1-3H3,(H,23,26);4-6,9-11,13-15H,7-8H2,1-3H3,(H,23,26).
What are the key properties of 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 2309.70 g/mol, XLogP of 22.94, 28 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzothiazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(3-cyclopropylbutan-2-yl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-2-pyridin-2-yloxy-N-(1-spiro[3.3]heptan-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[5-(furan-2-yl)-2-pyridinyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159639595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).