7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C192H197BClN45O18 — CID 159903200

IUPAC7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.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(C4CC4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.NC1CC1
InChIInChI=1S/C29H30N6O4.C28H27N7O.C27H26N6O2.C25H22N6O2.C24H22N6O2.C21H21N7O.C18H25BN2O4.C17H17ClN4O2.C3H7N/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;1-33(16-18-6-3-2-4-7-18)25-14-24(23-17-34(20-11-12-20)26-21(23)8-5-13-29-26)32-27-22(15-30-35(25)27)28(36)31-19-9-10-19;1-3-35-27(34)21-15-29-33-24(31(2)16-18-8-5-4-6-9-18)14-23(30-26(21)33)22-17-32(19-11-12-19)25-20(22)10-7-13-28-25;1-29(14-16-6-3-2-4-7-16)22-12-21(28-24-19(25(32)33)13-27-31(22)24)20-15-30(17-9-10-17)23-18(20)8-5-11-26-23;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;1-22-18-9-17(16-11-27(13-6-7-13)19-14(16)3-2-8-23-19)26-20-15(10-24-28(18)20)21(29)25-12-4-5-12;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;1-3-24-17(23)13-10-19-22-15(9-14(18)20-16(13)22)21(2)11-12-7-5-4-6-8-12;4-3-1-2-3/h7-16,18H,6,17H2,1-5H3;2-8,13-15,17,19-20H,9-12,16H2,1H3,(H,31,36);4-10,13-15,17,19H,3,11-12,16H2,1-2H3;2-8,11-13,15,17H,9-10,14H2,1H3,(H,32,33);4-14H,3,15H2,1-2H3,(H,25,26);2-3,8-13,22H,4-7H2,1H3,(H,25,29);8-11H,1-7H3;4-10H,3,11H2,1-2H3;3H,1-2,4H2
InChIKeyNWFMTGBSOGFRIO-UHFFFAOYSA-N
MW3469.25 g/mol
LogP32.78
Rot. Bonds43

About 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 159903200) has the molecular formula C192H197BClN45O18 and a molecular weight of 3469.25 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID159903200
Molecular FormulaC192H197BClN45O18
Molecular Weight3469.25 g/mol
Exact Mass3466.57
IUPAC Name7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.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(C4CC4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.NC1CC1
InChIInChI=1S/C29H30N6O4.C28H27N7O.C27H26N6O2.C25H22N6O2.C24H22N6O2.C21H21N7O.C18H25BN2O4.C17H17ClN4O2.C3H7N/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;1-33(16-18-6-3-2-4-7-18)25-14-24(23-17-34(20-11-12-20)26-21(23)8-5-13-29-26)32-27-22(15-30-35(25)27)28(36)31-19-9-10-19;1-3-35-27(34)21-15-29-33-24(31(2)16-18-8-5-4-6-9-18)14-23(30-26(21)33)22-17-32(19-11-12-19)25-20(22)10-7-13-28-25;1-29(14-16-6-3-2-4-7-16)22-12-21(28-24-19(25(32)33)13-27-31(22)24)20-15-30(17-9-10-17)23-18(20)8-5-11-26-23;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;1-22-18-9-17(16-11-27(13-6-7-13)19-14(16)3-2-8-23-19)26-20-15(10-24-28(18)20)21(29)25-12-4-5-12;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;1-3-24-17(23)13-10-19-22-15(9-14(18)20-16(13)22)21(2)11-12-7-5-4-6-8-12;4-3-1-2-3/h7-16,18H,6,17H2,1-5H3;2-8,13-15,17,19-20H,9-12,16H2,1H3,(H,31,36);4-10,13-15,17,19H,3,11-12,16H2,1-2H3;2-8,11-13,15,17H,9-10,14H2,1H3,(H,32,33);4-14H,3,15H2,1-2H3,(H,25,26);2-3,8-13,22H,4-7H2,1H3,(H,25,29);8-11H,1-7H3;4-10H,3,11H2,1-2H3;3H,1-2,4H2
InChIKeyNWFMTGBSOGFRIO-UHFFFAOYSA-N
XLogP32.78
TPSA676.18 Ų
H-Bond Donors6
H-Bond Acceptors59
Rotatable Bonds43
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003469.25
LogP ≤ 532.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 159903200) is 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.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(C4CC4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.NC1CC1.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is NWFMTGBSOGFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4.C28H27N7O.C27H26N6O2.C25H22N6O2.C24H22N6O2.C21H21N7O.C18H25BN2O4.C17H17ClN4O2.C3H7N/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;1-33(16-18-6-3-2-4-7-18)25-14-24(23-17-34(20-11-12-20)26-21(23)8-5-13-29-26)32-27-22(15-30-35(25)27)28(36)31-19-9-10-19;1-3-35-27(34)21-15-29-33-24(31(2)16-18-8-5-4-6-9-18)14-23(30-26(21)33)22-17-32(19-11-12-19)25-20(22)10-7-13-28-25;1-29(14-16-6-3-2-4-7-16)22-12-21(28-24-19(25(32)33)13-27-31(22)24)20-15-30(17-9-10-17)23-18(20)8-5-11-26-23;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;1-22-18-9-17(16-11-27(13-6-7-13)19-14(16)3-2-8-23-19)26-20-15(10-24-28(18)20)21(29)25-12-4-5-12;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;1-3-24-17(23)13-10-19-22-15(9-14(18)20-16(13)22)21(2)11-12-7-5-4-6-8-12;4-3-1-2-3/h7-16,18H,6,17H2,1-5H3;2-8,13-15,17,19-20H,9-12,16H2,1H3,(H,31,36);4-10,13-15,17,19H,3,11-12,16H2,1-2H3;2-8,11-13,15,17H,9-10,14H2,1H3,(H,32,33);4-14H,3,15H2,1-2H3,(H,25,26);2-3,8-13,22H,4-7H2,1H3,(H,25,29);8-11H,1-7H3;4-10H,3,11H2,1-2H3;3H,1-2,4H2.
What are the key properties of 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 3469.25 g/mol, XLogP of 32.78, 43 rotatable bonds, 6 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;N-cyclopropyl-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 159903200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).