1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione

C105H118BClN16O17Si — CID 158324658

About 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione

1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione (PubChem CID 158324658) has the molecular formula C105H118BClN16O17Si and a molecular weight of 1950.54 g/mol. Its IUPAC name is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione
• PubChem CID: 158324658
• Molecular Formula: C105H118BClN16O17Si
• Molecular Weight: 1950.54 g/mol
• Exact Mass: 1948.84
• IUPAC Name: 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione
• SMILES: 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)(C)[Si](C)(C)O/C=C/N1C(=O)c2ccccc2C1=O.CC1C[C@H]1N.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)nc12.C[C@@H]1CC1N1C(=O)c2ccccc2C1=O.O=CCN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C29H30N6O4.C18H25BN2O4.C16H15ClN4O.C16H21NO3Si.C12H11NO2.C10H7NO3.C4H9N/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(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-16(2,3)21(4,5)20-11-10-17-14(18)12-8-6-7-9-13(12)15(17)19;1-7-6-10(7)13-11(14)8-4-2-3-5-9(8)12(13)15;12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;1-3-2-4(3)5/h7-16,18H,6,17H2,1-5H3;8-11H,1-7H3;3-9H,10H2,1-2H3;6-11H,1-5H3;2-5,7,10H,6H2,1H3;1-4,6H,5H2;3-4H,2,5H2,1H3/b;;;11-10+;;;/t;;;;7-,10?;;3?,4-/m....1.1/s1
• InChIKey: GPGLBAOYFRAXLV-RRSSJYCYSA-N
• XLogP: 17.98
• TPSA: 381.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.54
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione?

The IUPAC name of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione (CID 158324658) is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione.

What is the SMILES notation for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione?

The canonical SMILES for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione 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)(C)[Si](C)(C)O/C=C/N1C(=O)c2ccccc2C1=O.CC1C[C@H]1N.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)nc12.C[C@@H]1CC1N1C(=O)c2ccccc2C1=O.O=CCN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione?

The InChIKey is GPGLBAOYFRAXLV-RRSSJYCYSA-N. The full InChI is InChI=1S/C29H30N6O4.C18H25BN2O4.C16H15ClN4O.C16H21NO3Si.C12H11NO2.C10H7NO3.C4H9N/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(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-16(2,3)21(4,5)20-11-10-17-14(18)12-8-6-7-9-13(12)15(17)19;1-7-6-10(7)13-11(14)8-4-2-3-5-9(8)12(13)15;12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;1-3-2-4(3)5/h7-16,18H,6,17H2,1-5H3;8-11H,1-7H3;3-9H,10H2,1-2H3;6-11H,1-5H3;2-5,7,10H,6H2,1H3;1-4,6H,5H2;3-4H,2,5H2,1H3/b;;;11-10+;;;/t;;;;7-,10?;;3?,4-/m....1.1/s1.

What are the key properties of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione?

1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione has a molecular weight of 1950.54 g/mol, XLogP of 17.98, 17 rotatable bonds, 1 hydrogen bond donors, and 30 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;2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(1,3-dioxoisoindol-2-yl)acetaldehyde;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;(1R)-2-methylcyclopropan-1-amine;2-[(2R)-2-methylcyclopropyl]isoindole-1,3-dione is sourced from PubChem (CID 158324658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).