7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

C73H87BBrF3N18O5 — CID 157378196

About 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine (PubChem CID 157378196) has the molecular formula C73H87BBrF3N18O5 and a molecular weight of 1444.33 g/mol. Its IUPAC name is 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine.

Molecular Properties

• Compound Name: 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
• PubChem CID: 157378196
• Molecular Formula: C73H87BBrF3N18O5
• Molecular Weight: 1444.33 g/mol
• Exact Mass: 1442.63
• IUPAC Name: 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
• SMILES: CC(C)(C)CCCC(=O)O.CC1(C)OB(c2ccc(CN)c(F)c2)OC1(C)C.Cn1cc(-c2nc3nccc(-c4ccc(CN)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)CCCC(C)(C)C)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Br)c3[nH]2)cn1
• InChI: InChI=1S/C25H29FN6O.C17H15FN6.C13H19BFNO2.C10H8BrN5.C8H16O2/c1-25(2,3)10-5-6-21(33)28-13-17-8-7-16(12-20(17)26)19-9-11-27-24-22(19)30-23(31-24)18-14-29-32(4)15-18;1-24-9-12(8-21-24)16-22-15-13(4-5-20-17(15)23-16)10-2-3-11(7-19)14(18)6-10;1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;1-8(2,3)6-4-5-7(9)10/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,28,33)(H,27,30,31);2-6,8-9H,7,19H2,1H3,(H,20,22,23);5-7H,8,16H2,1-4H3;2-5H,1H3,(H,12,14,15);4-6H2,1-3H3,(H,9,10)
• InChIKey: BKOHZURVRISJHU-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 315.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1444.33
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

The IUPAC name of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine (CID 157378196) is 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine.

What is the SMILES notation for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

The canonical SMILES for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine is CC(C)(C)CCCC(=O)O.CC1(C)OB(c2ccc(CN)c(F)c2)OC1(C)C.Cn1cc(-c2nc3nccc(-c4ccc(CN)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)CCCC(C)(C)C)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Br)c3[nH]2)cn1.

What is the InChIKey of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

The InChIKey is BKOHZURVRISJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O.C17H15FN6.C13H19BFNO2.C10H8BrN5.C8H16O2/c1-25(2,3)10-5-6-21(33)28-13-17-8-7-16(12-20(17)26)19-9-11-27-24-22(19)30-23(31-24)18-14-29-32(4)15-18;1-24-9-12(8-21-24)16-22-15-13(4-5-20-17(15)23-16)10-2-3-11(7-19)14(18)6-10;1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;1-8(2,3)6-4-5-7(9)10/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,28,33)(H,27,30,31);2-6,8-9H,7,19H2,1H3,(H,20,22,23);5-7H,8,16H2,1-4H3;2-5H,1H3,(H,12,14,15);4-6H2,1-3H3,(H,9,10).

What are the key properties of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine has a molecular weight of 1444.33 g/mol, XLogP of 13.61, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;5,5-dimethylhexanoic acid;[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5,5-dimethylhexanamide;[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine is sourced from PubChem (CID 157378196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).