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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine

C76H90BClN10O13Si — CID 161069667

IUPAC1-[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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-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)(C)[Si](C)(C)O/C=C/N1C(=O)c2ccccc2C1=O.C[C@@H]1CC1N1C(=O)C2C=CC=CC2C1=O.C[C@@H]1C[C@H]1N.O=CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25BN2O4.C16H15ClN4O.C16H21NO3Si.C12H13NO2.C10H7NO3.C4H9N/c1-16(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/h8-11H,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-,8?,9?,10?;;3-,4-/m...1.1/s1
InChIKeyUEMHZQSPMOGBPH-BIVGINDQSA-N
MW1425.96 g/mol
LogP12.07
Rot. Bonds11

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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine

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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine (PubChem CID 161069667) has the molecular formula C76H90BClN10O13Si and a molecular weight of 1425.96 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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine
PubChem CID161069667
Molecular FormulaC76H90BClN10O13Si
Molecular Weight1425.96 g/mol
Exact Mass1424.62
IUPAC Name1-[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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-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)(C)[Si](C)(C)O/C=C/N1C(=O)c2ccccc2C1=O.C[C@@H]1CC1N1C(=O)C2C=CC=CC2C1=O.C[C@@H]1C[C@H]1N.O=CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25BN2O4.C16H15ClN4O.C16H21NO3Si.C12H13NO2.C10H7NO3.C4H9N/c1-16(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/h8-11H,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-,8?,9?,10?;;3-,4-/m...1.1/s1
InChIKeyUEMHZQSPMOGBPH-BIVGINDQSA-N
XLogP12.07
TPSA277.54 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.96
LogP ≤ 512.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine with MolForge

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Related Compounds

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
CID 158935563
CID 158935563

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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine?
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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine (CID 161069667) 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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine.
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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine?
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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-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)(C)[Si](C)(C)O/C=C/N1C(=O)c2ccccc2C1=O.C[C@@H]1CC1N1C(=O)C2C=CC=CC2C1=O.C[C@@H]1C[C@H]1N.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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine?
The InChIKey is UEMHZQSPMOGBPH-BIVGINDQSA-N. The full InChI is InChI=1S/C18H25BN2O4.C16H15ClN4O.C16H21NO3Si.C12H13NO2.C10H7NO3.C4H9N/c1-16(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/h8-11H,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-,8?,9?,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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine?
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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine has a molecular weight of 1425.96 g/mol, XLogP of 12.07, 11 rotatable bonds, 1 hydrogen bond donors, and 20 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;2-[(2R)-2-methylcyclopropyl]-3a,7a-dihydroisoindole-1,3-dione;trans-(1R,2R)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 161069667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).