acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C129H135BBr4N18O9 — CID 161054177

About acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 161054177) has the molecular formula C129H135BBr4N18O9 and a molecular weight of 2412.04 g/mol. Its IUPAC name is acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 161054177
• Molecular Formula: C129H135BBr4N18O9
• Molecular Weight: 2412.04 g/mol
• Exact Mass: 2406.75
• IUPAC Name: acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC(=O)O.Cc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)Nc3cc(Br)cnc3N)CCC2)cc1.Cc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)O)CCC2)cc1.Cc1cc(C2CC2)ncc1-c1ccc(C2(c3nc4ncc(Br)cc4[nH]3)CCC2)cc1.Cc1cc(C2CC2)ncc1-c1ccc(C2(c3nc4ncc(C#N)cc4[nH]3)CCC2)cc1.Cc1cc(C2CC2)ncc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Br)cnc1N.O=C(O)C1(c2ccc(Br)cc2)CCC1
• InChI: InChI=1S/C26H23N5.C25H25BrN4O.C25H23BrN4.C20H21NO2.C15H22BNO2.C11H11BrO2.C5H6BrN3.C2H4O2/c1-16-11-22(19-3-4-19)28-15-21(16)18-5-7-20(8-6-18)26(9-2-10-26)25-30-23-12-17(13-27)14-29-24(23)31-25;1-15-11-21(17-3-4-17)28-14-20(15)16-5-7-18(8-6-16)25(9-2-10-25)24(31)30-22-12-19(26)13-29-23(22)27;1-15-11-21(17-3-4-17)27-14-20(15)16-5-7-18(8-6-16)25(9-2-10-25)24-29-22-12-19(26)13-28-23(22)30-24;1-13-11-18(15-3-4-15)21-12-17(13)14-5-7-16(8-6-14)20(19(22)23)9-2-10-20;1-10-8-13(11-6-7-11)17-9-12(10)16-18-14(2,3)15(4,5)19-16;12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11;6-3-1-4(7)5(8)9-2-3;1-2(3)4/h5-8,11-12,14-15,19H,2-4,9-10H2,1H3,(H,29,30,31);5-8,11-14,17H,2-4,9-10H2,1H3,(H2,27,29)(H,30,31);5-8,11-14,17H,2-4,9-10H2,1H3,(H,28,29,30);5-8,11-12,15H,2-4,9-10H2,1H3,(H,22,23);8-9,11H,6-7H2,1-5H3;2-5H,1,6-7H2,(H,13,14);1-2H,7H2,(H2,8,9);1H3,(H,3,4)
• InChIKey: JCZOLXKGYVEETR-UHFFFAOYSA-N
• XLogP: 28.78
• TPSA: 434.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2412.04
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 161054177) is acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(=O)O.Cc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)Nc3cc(Br)cnc3N)CCC2)cc1.Cc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)O)CCC2)cc1.Cc1cc(C2CC2)ncc1-c1ccc(C2(c3nc4ncc(Br)cc4[nH]3)CCC2)cc1.Cc1cc(C2CC2)ncc1-c1ccc(C2(c3nc4ncc(C#N)cc4[nH]3)CCC2)cc1.Cc1cc(C2CC2)ncc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Br)cnc1N.O=C(O)C1(c2ccc(Br)cc2)CCC1.

What is the InChIKey of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is JCZOLXKGYVEETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5.C25H25BrN4O.C25H23BrN4.C20H21NO2.C15H22BNO2.C11H11BrO2.C5H6BrN3.C2H4O2/c1-16-11-22(19-3-4-19)28-15-21(16)18-5-7-20(8-6-18)26(9-2-10-26)25-30-23-12-17(13-27)14-29-24(23)31-25;1-15-11-21(17-3-4-17)28-14-20(15)16-5-7-18(8-6-16)25(9-2-10-25)24(31)30-22-12-19(26)13-29-23(22)27;1-15-11-21(17-3-4-17)27-14-20(15)16-5-7-18(8-6-16)25(9-2-10-25)24-29-22-12-19(26)13-28-23(22)30-24;1-13-11-18(15-3-4-15)21-12-17(13)14-5-7-16(8-6-14)20(19(22)23)9-2-10-20;1-10-8-13(11-6-7-11)17-9-12(10)16-18-14(2,3)15(4,5)19-16;12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11;6-3-1-4(7)5(8)9-2-3;1-2(3)4/h5-8,11-12,14-15,19H,2-4,9-10H2,1H3,(H,29,30,31);5-8,11-14,17H,2-4,9-10H2,1H3,(H2,27,29)(H,30,31);5-8,11-14,17H,2-4,9-10H2,1H3,(H,28,29,30);5-8,11-12,15H,2-4,9-10H2,1H3,(H,22,23);8-9,11H,6-7H2,1-5H3;2-5H,1,6-7H2,(H,13,14);1-2H,7H2,(H2,8,9);1H3,(H,3,4).

What are the key properties of acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2412.04 g/mol, XLogP of 28.78, 21 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxamide;6-bromo-2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine;1-(4-bromophenyl)cyclobutane-1-carboxylic acid;5-bromopyridine-2,3-diamine;1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutane-1-carboxylic acid;2-[1-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-cyclopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 161054177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).