1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione

C133H160BCl7N25O21P — CID 161341079

IUPAC1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESCC(C)c1cn[nH]c1N.CC(C)c1cnn2c(Cl)cc(Cl)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)OCO4)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCCC3=CCc4ccccc43)cc(Cl)nc12.CC(C)c1cnn2c1NC(=O)CC2=O.CCOC(=O)CC(=O)OCC.NCCc1c[nH]c2ccccc12.O=P(Cl)(Cl)Cl.OB(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C36H41N5O6.C29H36ClN5O4.C20H21ClN4.C10H12N2.C9H9Cl2N3.C9H11N3O2.C7H7BO4.C7H12O4.C6H11N3.Cl3OP/c1-22(2)26-19-37-41-31(18-27(38-32(26)41)23-13-14-29-30(17-23)45-21-44-29)39(33(42)46-35(3,4)5)16-15-24-20-40(34(43)47-36(6,7)8)28-12-10-9-11-25(24)28;1-18(2)21-16-31-35-24(15-23(30)32-25(21)35)33(26(36)38-28(3,4)5)14-13-19-17-34(27(37)39-29(6,7)8)22-12-10-9-11-20(19)22;1-13(2)17-12-23-25-19(11-18(21)24-20(17)25)22-10-9-15-8-7-14-5-3-4-6-16(14)15;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14;1-5(2)6-4-10-12-8(14)3-7(13)11-9(6)12;9-8(10)5-1-2-6-7(3-5)12-4-11-6;1-3-10-6(8)5-7(9)11-4-2;1-4(2)5-3-8-9-6(5)7;1-5(2,3)4/h9-14,17-20,22H,15-16,21H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-6,8,11-13,22H,7,9-10H2,1-2H3;1-4,7,12H,5-6,11H2;3-5H,1-2H3;4-5H,3H2,1-2H3,(H,11,13);1-3,9-10H,4H2;3-5H2,1-2H3;3-4H,1-2H3,(H3,7,8,9);
InChIKeyVMRAABMHTUWWQC-UHFFFAOYSA-N
MW2734.85 g/mol
LogP29.49
Rot. Bonds26

About 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione

1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 161341079) has the molecular formula C133H160BCl7N25O21P and a molecular weight of 2734.85 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID161341079
Molecular FormulaC133H160BCl7N25O21P
Molecular Weight2734.85 g/mol
Exact Mass2729.99
IUPAC Name1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESCC(C)c1cn[nH]c1N.CC(C)c1cnn2c(Cl)cc(Cl)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)OCO4)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCCC3=CCc4ccccc43)cc(Cl)nc12.CC(C)c1cnn2c1NC(=O)CC2=O.CCOC(=O)CC(=O)OCC.NCCc1c[nH]c2ccccc12.O=P(Cl)(Cl)Cl.OB(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C36H41N5O6.C29H36ClN5O4.C20H21ClN4.C10H12N2.C9H9Cl2N3.C9H11N3O2.C7H7BO4.C7H12O4.C6H11N3.Cl3OP/c1-22(2)26-19-37-41-31(18-27(38-32(26)41)23-13-14-29-30(17-23)45-21-44-29)39(33(42)46-35(3,4)5)16-15-24-20-40(34(43)47-36(6,7)8)28-12-10-9-11-25(24)28;1-18(2)21-16-31-35-24(15-23(30)32-25(21)35)33(26(36)38-28(3,4)5)14-13-19-17-34(27(37)39-29(6,7)8)22-12-10-9-11-20(19)22;1-13(2)17-12-23-25-19(11-18(21)24-20(17)25)22-10-9-15-8-7-14-5-3-4-6-16(14)15;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14;1-5(2)6-4-10-12-8(14)3-7(13)11-9(6)12;9-8(10)5-1-2-6-7(3-5)12-4-11-6;1-3-10-6(8)5-7(9)11-4-2;1-4(2)5-3-8-9-6(5)7;1-5(2,3)4/h9-14,17-20,22H,15-16,21H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-6,8,11-13,22H,7,9-10H2,1-2H3;1-4,7,12H,5-6,11H2;3-5H,1-2H3;4-5H,3H2,1-2H3,(H,11,13);1-3,9-10H,4H2;3-5H2,1-2H3;3-4H,1-2H3,(H3,7,8,9);
InChIKeyVMRAABMHTUWWQC-UHFFFAOYSA-N
XLogP29.49
TPSA561.88 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002734.85
LogP ≤ 529.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzodioxol-4-yl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1,3-benzodioxol-4-yl(trimethyl)stannane;tert-butyl 3-[2-[[5-(1,3-benzodioxol-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;4-iodo-1,3-benzodioxole;methane
CID 160595208
5-(1,3-benzodioxol-4-yl)-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1,3-benzodioxol-4-yl(trimethyl)stannane;tert-butyl 3-[2-[[5-(1,3-benzodioxol-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;4-iodo-1,3-benzodioxole
CID 161786225

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (CID 161341079) is 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is CC(C)c1cn[nH]c1N.CC(C)c1cnn2c(Cl)cc(Cl)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)OCO4)nc12.CC(C)c1cnn2c(N(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCCC3=CCc4ccccc43)cc(Cl)nc12.CC(C)c1cnn2c1NC(=O)CC2=O.CCOC(=O)CC(=O)OCC.NCCc1c[nH]c2ccccc12.O=P(Cl)(Cl)Cl.OB(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is VMRAABMHTUWWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O6.C29H36ClN5O4.C20H21ClN4.C10H12N2.C9H9Cl2N3.C9H11N3O2.C7H7BO4.C7H12O4.C6H11N3.Cl3OP/c1-22(2)26-19-37-41-31(18-27(38-32(26)41)23-13-14-29-30(17-23)45-21-44-29)39(33(42)46-35(3,4)5)16-15-24-20-40(34(43)47-36(6,7)8)28-12-10-9-11-25(24)28;1-18(2)21-16-31-35-24(15-23(30)32-25(21)35)33(26(36)38-28(3,4)5)14-13-19-17-34(27(37)39-29(6,7)8)22-12-10-9-11-20(19)22;1-13(2)17-12-23-25-19(11-18(21)24-20(17)25)22-10-9-15-8-7-14-5-3-4-6-16(14)15;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14;1-5(2)6-4-10-12-8(14)3-7(13)11-9(6)12;9-8(10)5-1-2-6-7(3-5)12-4-11-6;1-3-10-6(8)5-7(9)11-4-2;1-4(2)5-3-8-9-6(5)7;1-5(2,3)4/h9-14,17-20,22H,15-16,21H2,1-8H3;9-12,15-18H,13-14H2,1-8H3;3-6,8,11-13,22H,7,9-10H2,1-2H3;1-4,7,12H,5-6,11H2;3-5H,1-2H3;4-5H,3H2,1-2H3,(H,11,13);1-3,9-10H,4H2;3-5H2,1-2H3;3-4H,1-2H3,(H3,7,8,9);.
What are the key properties of 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 2734.85 g/mol, XLogP of 29.49, 26 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylboronic acid;tert-butyl 3-[2-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;5-chloro-N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;diethyl propanedioate;2-(1H-indol-3-yl)ethanamine;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 161341079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).