bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C132H174BBr2N19O19S5 — CID 160714466

About bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 160714466) has the molecular formula C132H174BBr2N19O19S5 and a molecular weight of 2661.91 g/mol. Its IUPAC name is bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 160714466
• Molecular Formula: C132H174BBr2N19O19S5
• Molecular Weight: 2661.91 g/mol
• Exact Mass: 2658.03
• IUPAC Name: bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC1(C)OB(c2ccncc2OCC2CC2)OC1(C)C.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2s1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2s1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(Br)c2s1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(Br)c2s1.C[C@@H]1CNCCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2s1
• InChI: InChI=1S/2C28H36N4O4S.C23H28N4O2S.2C19H26BrN3O3S.C15H22BNO3/c2*1-18-14-32(27(34)36-28(2,3)4)11-10-31(18)15-20-12-22-25(37-20)23(16-30(5)26(22)33)21-8-9-29-13-24(21)35-17-19-6-7-19;1-15-10-25-7-8-27(15)12-17-9-19-22(30-17)20(13-26(2)23(19)28)18-5-6-24-11-21(18)29-14-16-3-4-16;2*1-12-9-23(18(25)26-19(2,3)4)7-6-22(12)10-13-8-14-16(27-13)15(20)11-21(5)17(14)24;1-14(2)15(3,4)20-16(19-14)12-7-8-17-9-13(12)18-10-11-5-6-11/h2*8-9,12-13,16,18-19H,6-7,10-11,14-15,17H2,1-5H3;5-6,9,11,13,15-16,25H,3-4,7-8,10,12,14H2,1-2H3;2*8,11-12H,6-7,9-10H2,1-5H3;7-9,11H,5-6,10H2,1-4H3/t2*18-;15-;2*12-;/m11111./s1
• InChIKey: RSHFIBLHCUMJGE-ZMLWQZPPSA-N
• XLogP: 22.81
• TPSA: 363.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2661.91
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 160714466) is bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccncc2OCC2CC2)OC1(C)C.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2s1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2s1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(Br)c2s1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(=O)n(C)cc(Br)c2s1.C[C@@H]1CNCCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CC3)c2s1.

What is the InChIKey of bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is RSHFIBLHCUMJGE-ZMLWQZPPSA-N. The full InChI is InChI=1S/2C28H36N4O4S.C23H28N4O2S.2C19H26BrN3O3S.C15H22BNO3/c2*1-18-14-32(27(34)36-28(2,3)4)11-10-31(18)15-20-12-22-25(37-20)23(16-30(5)26(22)33)21-8-9-29-13-24(21)35-17-19-6-7-19;1-15-10-25-7-8-27(15)12-17-9-19-22(30-17)20(13-26(2)23(19)28)18-5-6-24-11-21(18)29-14-16-3-4-16;2*1-12-9-23(18(25)26-19(2,3)4)7-6-22(12)10-13-8-14-16(27-13)15(20)11-21(5)17(14)24;1-14(2)15(3,4)20-16(19-14)12-7-8-17-9-13(12)18-10-11-5-6-11/h2*8-9,12-13,16,18-19H,6-7,10-11,14-15,17H2,1-5H3;5-6,9,11,13,15-16,25H,3-4,7-8,10,12,14H2,1-2H3;2*8,11-12H,6-7,9-10H2,1-5H3;7-9,11H,5-6,10H2,1-4H3/t2*18-;15-;2*12-;/m11111./s1.

What are the key properties of bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2661.91 g/mol, XLogP of 22.81, 26 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl (3R)-4-[(7-bromo-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate);bis(tert-butyl (3R)-4-[[7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-3-methylpiperazine-1-carboxylate);7-[3-(cyclopropylmethoxy)-4-pyridinyl]-5-methyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]thieno[3,2-c]pyridin-4-one;3-(cyclopropylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 160714466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).