4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate

C105H149BBrCl2N19O15S4Si3 — CID 161094436

About 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate

4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate (PubChem CID 161094436) has the molecular formula C105H149BBrCl2N19O15S4Si3 and a molecular weight of 2291.61 g/mol. Its IUPAC name is 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate.

Molecular Properties

• Compound Name: 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate
• PubChem CID: 161094436
• Molecular Formula: C105H149BBrCl2N19O15S4Si3
• Molecular Weight: 2291.61 g/mol
• Exact Mass: 2287.83
• IUPAC Name: 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N1CCc2c(c(B(O)O)cn2COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCc2c(cnn2COCC[Si](C)(C)C)C1.Cc1nc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cs1.Cc1nc(-c2n[nH]c3c2CNCC3)cs1.Cc1nc(-c2nn(COCC[Si](C)(C)C)c3c2CN(C(=O)OC(C)(C)C)CC3)cs1.Cc1nc(Br)cs1.O=C(Cc1cccc(Cl)c1)Oc1ccccc1
• InChI: InChI=1S/C21H34N4O3SSi.C18H33BN2O5Si.C17H16ClN5OS.C17H31N3O3Si.C14H11ClO2.C10H12N4S.C4H4BrNS.C4H8O/c1-15-22-17(13-29-15)19-16-12-24(20(26)28-21(2,3)4)9-8-18(16)25(23-19)14-27-10-11-30(5,6)7;1-18(2,3)26-17(22)20-8-7-16-14(11-20)15(19(23)24)12-21(16)13-25-9-10-27(4,5)6;1-10-19-15(9-25-10)16-13-8-23(6-5-14(13)21-22-16)17(24)20-12-4-2-3-11(18)7-12;1-17(2,3)23-16(21)19-8-7-15-14(12-19)11-18-20(15)13-22-9-10-24(4,5)6;15-12-6-4-5-11(9-12)10-14(16)17-13-7-2-1-3-8-13;1-6-12-9(5-15-6)10-7-4-11-3-2-8(7)13-14-10;1-3-6-4(5)2-7-3;1-2-4-5-3-1/h13H,8-12,14H2,1-7H3;12,23-24H,7-11,13H2,1-6H3;2-4,7,9H,5-6,8H2,1H3,(H,20,24)(H,21,22);11H,7-10,12-13H2,1-6H3;1-9H,10H2;5,11H,2-4H2,1H3,(H,13,14);2H,1H3;1-4H2
• InChIKey: UHPJHXRZZLSJFQ-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 386.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.61
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate?

The IUPAC name of 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate (CID 161094436) is 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate.

What is the SMILES notation for 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate?

The canonical SMILES for 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate is C1CCOC1.CC(C)(C)OC(=O)N1CCc2c(c(B(O)O)cn2COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCc2c(cnn2COCC[Si](C)(C)C)C1.Cc1nc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cs1.Cc1nc(-c2n[nH]c3c2CNCC3)cs1.Cc1nc(-c2nn(COCC[Si](C)(C)C)c3c2CN(C(=O)OC(C)(C)C)CC3)cs1.Cc1nc(Br)cs1.O=C(Cc1cccc(Cl)c1)Oc1ccccc1.

What is the InChIKey of 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate?

The InChIKey is UHPJHXRZZLSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3SSi.C18H33BN2O5Si.C17H16ClN5OS.C17H31N3O3Si.C14H11ClO2.C10H12N4S.C4H4BrNS.C4H8O/c1-15-22-17(13-29-15)19-16-12-24(20(26)28-21(2,3)4)9-8-18(16)25(23-19)14-27-10-11-30(5,6)7;1-18(2,3)26-17(22)20-8-7-16-14(11-20)15(19(23)24)12-21(16)13-25-9-10-27(4,5)6;1-10-19-15(9-25-10)16-13-8-23(6-5-14(13)21-22-16)17(24)20-12-4-2-3-11(18)7-12;1-17(2,3)23-16(21)19-8-7-15-14(12-19)11-18-20(15)13-22-9-10-24(4,5)6;15-12-6-4-5-11(9-12)10-14(16)17-13-7-2-1-3-8-13;1-6-12-9(5-15-6)10-7-4-11-3-2-8(7)13-14-10;1-3-6-4(5)2-7-3;1-2-4-5-3-1/h13H,8-12,14H2,1-7H3;12,23-24H,7-11,13H2,1-6H3;2-4,7,9H,5-6,8H2,1H3,(H,20,24)(H,21,22);11H,7-10,12-13H2,1-6H3;1-9H,10H2;5,11H,2-4H2,1H3,(H,13,14);2H,1H3;1-4H2.

What are the key properties of 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate?

4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate has a molecular weight of 2291.61 g/mol, XLogP of 22.25, 23 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-methyl-1,3-thiazole;tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;[5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]boronic acid;2-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-thiazole;oxolane;phenyl 2-(3-chlorophenyl)acetate is sourced from PubChem (CID 161094436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).