1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine

C212H238BClIN51O21Si — CID 160845308

IUPAC1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine
SMILESCC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cccnc21.CC1C[C@H]1N.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ncccc34)nc12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O[Si](C)(C)C(C)(C)C)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)O)cnn12
InChIInChI=1S/C29H30N6O4.C27H37N7O2Si.C27H28N6O2.C25H24N6O2.C24H22N6O2.C21H23N7O2.C18H25BN2O4.C18H18N6O2.C16H15ClN4O.C4H9N.C3H7I/c1-6-38-27(36)21-16-31-35-24(33(5)17-19-11-8-7-9-12-19)15-23(32-26(21)35)22-18-34(28(37)39-29(2,3)4)25-20(22)13-10-14-30-25;1-16(2)33-15-19(17-10-9-11-29-24(17)33)20-13-23(28-6)34-25(31-20)18(14-30-34)26(35)32-21-12-22(21)36-37(7,8)27(3,4)5;1-5-35-27(34)21-15-29-33-24(31(4)16-19-10-7-6-8-11-19)14-23(30-26(21)33)22-17-32(18(2)3)25-20(22)12-9-13-28-25;1-16(2)30-15-20(18-10-7-11-26-23(18)30)21-12-22(29(3)14-17-8-5-4-6-9-17)31-24(28-21)19(13-27-31)25(32)33;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29;1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;1-10(2)23-9-13(11-5-4-6-20-16(11)23)14-7-15(19-3)24-17(22-14)12(8-21-24)18(25)26;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-3-2-4(3)5;1-3(2)4/h7-16,18H,6,17H2,1-5H3;9-11,13-16,21-22,28H,12H2,1-8H3,(H,32,35);6-15,17-18H,5,16H2,1-4H3;4-13,15-16H,14H2,1-3H3,(H,32,33);4-14H,3,15H2,1-2H3,(H,25,26);4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30);8-11H,1-7H3;4-10,19H,1-3H3,(H,25,26);3-9H,10H2,1-2H3;3-4H,2,5H2,1H3;3H,1-2H3/t;21-,22-;;;;16-,17-;;;;3?,4-;/m.1...1...1./s1
InChIKeySIOJCRKMIOGERP-BNUMQUGPSA-N
MW4037.83 g/mol
LogP38.31
Rot. Bonds46

About 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine

1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine (PubChem CID 160845308) has the molecular formula C212H238BClIN51O21Si and a molecular weight of 4037.83 g/mol. Its IUPAC name is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine
PubChem CID160845308
Molecular FormulaC212H238BClIN51O21Si
Molecular Weight4037.83 g/mol
Exact Mass4034.77
IUPAC Name1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine
SMILESCC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cccnc21.CC1C[C@H]1N.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ncccc34)nc12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O[Si](C)(C)C(C)(C)C)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)O)cnn12
InChIInChI=1S/C29H30N6O4.C27H37N7O2Si.C27H28N6O2.C25H24N6O2.C24H22N6O2.C21H23N7O2.C18H25BN2O4.C18H18N6O2.C16H15ClN4O.C4H9N.C3H7I/c1-6-38-27(36)21-16-31-35-24(33(5)17-19-11-8-7-9-12-19)15-23(32-26(21)35)22-18-34(28(37)39-29(2,3)4)25-20(22)13-10-14-30-25;1-16(2)33-15-19(17-10-9-11-29-24(17)33)20-13-23(28-6)34-25(31-20)18(14-30-34)26(35)32-21-12-22(21)36-37(7,8)27(3,4)5;1-5-35-27(34)21-15-29-33-24(31(4)16-19-10-7-6-8-11-19)14-23(30-26(21)33)22-17-32(18(2)3)25-20(22)12-9-13-28-25;1-16(2)30-15-20(18-10-7-11-26-23(18)30)21-12-22(29(3)14-17-8-5-4-6-9-17)31-24(28-21)19(13-27-31)25(32)33;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29;1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;1-10(2)23-9-13(11-5-4-6-20-16(11)23)14-7-15(19-3)24-17(22-14)12(8-21-24)18(25)26;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-3-2-4(3)5;1-3(2)4/h7-16,18H,6,17H2,1-5H3;9-11,13-16,21-22,28H,12H2,1-8H3,(H,32,35);6-15,17-18H,5,16H2,1-4H3;4-13,15-16H,14H2,1-3H3,(H,32,33);4-14H,3,15H2,1-2H3,(H,25,26);4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30);8-11H,1-7H3;4-10,19H,1-3H3,(H,25,26);3-9H,10H2,1-2H3;3-4H,2,5H2,1H3;3H,1-2H3/t;21-,22-;;;;16-,17-;;;;3?,4-;/m.1...1...1./s1
InChIKeySIOJCRKMIOGERP-BNUMQUGPSA-N
XLogP38.31
TPSA802.54 Ų
H-Bond Donors10
H-Bond Acceptors67
Rotatable Bonds46
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004037.83
LogP ≤ 538.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1067

Analyze 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine?
The IUPAC name of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine (CID 160845308) is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine?
The canonical SMILES for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine is CC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cccnc21.CC1C[C@H]1N.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ncccc34)nc12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O[Si](C)(C)C(C)(C)C)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)O)cnn12.
What is the InChIKey of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine?
The InChIKey is SIOJCRKMIOGERP-BNUMQUGPSA-N. The full InChI is InChI=1S/C29H30N6O4.C27H37N7O2Si.C27H28N6O2.C25H24N6O2.C24H22N6O2.C21H23N7O2.C18H25BN2O4.C18H18N6O2.C16H15ClN4O.C4H9N.C3H7I/c1-6-38-27(36)21-16-31-35-24(33(5)17-19-11-8-7-9-12-19)15-23(32-26(21)35)22-18-34(28(37)39-29(2,3)4)25-20(22)13-10-14-30-25;1-16(2)33-15-19(17-10-9-11-29-24(17)33)20-13-23(28-6)34-25(31-20)18(14-30-34)26(35)32-21-12-22(21)36-37(7,8)27(3,4)5;1-5-35-27(34)21-15-29-33-24(31(4)16-19-10-7-6-8-11-19)14-23(30-26(21)33)22-17-32(18(2)3)25-20(22)12-9-13-28-25;1-16(2)30-15-20(18-10-7-11-26-23(18)30)21-12-22(29(3)14-17-8-5-4-6-9-17)31-24(28-21)19(13-27-31)25(32)33;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29;1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;1-10(2)23-9-13(11-5-4-6-20-16(11)23)14-7-15(19-3)24-17(22-14)12(8-21-24)18(25)26;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-3-2-4(3)5;1-3(2)4/h7-16,18H,6,17H2,1-5H3;9-11,13-16,21-22,28H,12H2,1-8H3,(H,32,35);6-15,17-18H,5,16H2,1-4H3;4-13,15-16H,14H2,1-3H3,(H,32,33);4-14H,3,15H2,1-2H3,(H,25,26);4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30);8-11H,1-7H3;4-10,19H,1-3H3,(H,25,26);3-9H,10H2,1-2H3;3-4H,2,5H2,1H3;3H,1-2H3/t;21-,22-;;;;16-,17-;;;;3?,4-;/m.1...1...1./s1.
What are the key properties of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine?
1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine has a molecular weight of 4037.83 g/mol, XLogP of 38.31, 46 rotatable bonds, 10 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-iodopropane;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1R)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 160845308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).