7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde

C66H68BBr2F2N17O5 — CID 159555801

About 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde

7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde (PubChem CID 159555801) has the molecular formula C66H68BBr2F2N17O5 and a molecular weight of 1388.00 g/mol. Its IUPAC name is 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde
• PubChem CID: 159555801
• Molecular Formula: C66H68BBr2F2N17O5
• Molecular Weight: 1388.00 g/mol
• Exact Mass: 1385.40
• IUPAC Name: 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde
• SMILES: CC(C)(C)c1ccc(C(=O)NCc2ccc(B(O)O)cc2F)cc1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Br)c3[nH]2)cn1.Cn1cc(C=O)cn1.Nc1nccc(Br)c1N
• InChI: InChI=1S/C28H27FN6O.C18H21BFNO3.C10H8BrN5.C5H6BrN3.C5H6N2O/c1-28(2,3)21-9-7-17(8-10-21)27(36)31-14-19-6-5-18(13-23(19)29)22-11-12-30-26-24(22)33-25(34-26)20-15-32-35(4)16-20;1-18(2,3)14-7-4-12(5-8-14)17(22)21-11-13-6-9-15(19(23)24)10-16(13)20;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;6-3-1-2-9-5(8)4(3)7;1-7-3-5(4-8)2-6-7/h5-13,15-16H,14H2,1-4H3,(H,31,36)(H,30,33,34);4-10,23-24H,11H2,1-3H3,(H,21,22);2-5H,1H3,(H,12,14,15);1-2H,7H2,(H2,8,9);2-4H,1H3
• InChIKey: MFYXHYAEWZLTKU-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 317.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1388.00
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde?

The IUPAC name of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde (CID 159555801) is 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde.

What is the SMILES notation for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde?

The canonical SMILES for 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde is CC(C)(C)c1ccc(C(=O)NCc2ccc(B(O)O)cc2F)cc1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(Br)c3[nH]2)cn1.Cn1cc(C=O)cn1.Nc1nccc(Br)c1N.

What is the InChIKey of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde?

The InChIKey is MFYXHYAEWZLTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O.C18H21BFNO3.C10H8BrN5.C5H6BrN3.C5H6N2O/c1-28(2,3)21-9-7-17(8-10-21)27(36)31-14-19-6-5-18(13-23(19)29)22-11-12-30-26-24(22)33-25(34-26)20-15-32-35(4)16-20;1-18(2,3)14-7-4-12(5-8-14)17(22)21-11-13-6-9-15(19(23)24)10-16(13)20;1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9;6-3-1-2-9-5(8)4(3)7;1-7-3-5(4-8)2-6-7/h5-13,15-16H,14H2,1-4H3,(H,31,36)(H,30,33,34);4-10,23-24H,11H2,1-3H3,(H,21,22);2-5H,1H3,(H,12,14,15);1-2H,7H2,(H2,8,9);2-4H,1H3.

What are the key properties of 7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde?

7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde has a molecular weight of 1388.00 g/mol, XLogP of 10.49, 11 rotatable bonds, 8 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;4-bromopyridine-2,3-diamine;[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]boronic acid;4-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 159555801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).