5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate

C84H94ClF2N17O7 — CID 159158389

About 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate

5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate (PubChem CID 159158389) has the molecular formula C84H94ClF2N17O7 and a molecular weight of 1527.24 g/mol. Its IUPAC name is 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate
• PubChem CID: 159158389
• Molecular Formula: C84H94ClF2N17O7
• Molecular Weight: 1527.24 g/mol
• Exact Mass: 1525.72
• IUPAC Name: 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate
• SMILES: CC(C)(C)c1ccc(C(=O)O)nc1.CC(C)(C)c1ccc(C(=O)O)nc1.CC(C)(C)c1ccc(Cl)nc1.COC(=O)c1ccc(C(C)(C)C)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CN)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C27H26FN7O.C17H15FN6.C11H15NO2.2C10H13NO2.C9H12ClN/c1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(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;1-11(2,3)8-5-6-9(12-7-8)10(13)14-4;2*1-10(2,3)7-4-5-8(9(12)13)11-6-7;1-9(2,3)7-4-5-8(10)11-6-7/h5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34);2-6,8-9H,7,19H2,1H3,(H,20,22,23);5-7H,1-4H3;2*4-6H,1-3H3,(H,12,13);4-6H,1-3H3
• InChIKey: KKEINPFVCQIZKK-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 339.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1527.24
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate?

The IUPAC name of 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate (CID 159158389) is 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate.

What is the SMILES notation for 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate?

The canonical SMILES for 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate is CC(C)(C)c1ccc(C(=O)O)nc1.CC(C)(C)c1ccc(C(=O)O)nc1.CC(C)(C)c1ccc(Cl)nc1.COC(=O)c1ccc(C(C)(C)C)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CN)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1.

What is the InChIKey of 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate?

The InChIKey is KKEINPFVCQIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O.C17H15FN6.C11H15NO2.2C10H13NO2.C9H12ClN/c1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(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;1-11(2,3)8-5-6-9(12-7-8)10(13)14-4;2*1-10(2,3)7-4-5-8(9(12)13)11-6-7;1-9(2,3)7-4-5-8(10)11-6-7/h5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34);2-6,8-9H,7,19H2,1H3,(H,20,22,23);5-7H,1-4H3;2*4-6H,1-3H3,(H,12,13);4-6H,1-3H3.

What are the key properties of 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate?

5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate has a molecular weight of 1527.24 g/mol, XLogP of 16.76, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-chloropyridine;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide;bis(5-tert-butylpyridine-2-carboxylic acid);[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;methyl 5-tert-butylpyridine-2-carboxylate is sourced from PubChem (CID 159158389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).