N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide

C100H126F6N20O12 — CID 157177295

About N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide

N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide (PubChem CID 157177295) has the molecular formula C100H126F6N20O12 and a molecular weight of 1914.22 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide
• PubChem CID: 157177295
• Molecular Formula: C100H126F6N20O12
• Molecular Weight: 1914.22 g/mol
• Exact Mass: 1912.98
• IUPAC Name: N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide
• SMILES: CC(C)(O)CC(=O)Nc1nc2ccc(C(C)(C)O)nc2n1C(C)(C)C.CC(C)(O)c1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C(C)(C)C)c2n1.CCC(C)(O)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3ccc(OCC(F)(F)F)cc3)c2n1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(-c3ccc(OC(F)(F)F)cc3)c2n1
• InChI: InChI=1S/C23H30N4O3.C21H21F3N4O2.C21H23F3N4O2.C18H28N4O3.C17H24N4O2/c1-21(2,3)27-19-16(12-13-17(25-19)22(4,5)29)24-20(27)26-18(28)14-23(6,30)15-10-8-7-9-11-15;1-13-4-9-16-18(25-13)28(14-5-7-15(8-6-14)30-21(22,23)24)19(26-16)27-17(29)12-20(2)10-3-11-20;1-13-5-10-16-18(25-13)28(19(26-16)27-17(29)11-20(2,3)4)14-6-8-15(9-7-14)30-12-21(22,23)24;1-16(2,3)22-14-11(8-9-12(20-14)18(6,7)25)19-15(22)21-13(23)10-17(4,5)24;1-4-17(3,23)10-14(22)20-16-19-13-9-8-11(2)18-15(13)21(16)12-6-5-7-12/h7-13,29-30H,14H2,1-6H3,(H,24,26,28);4-9H,3,10-12H2,1-2H3,(H,26,27,29);5-10H,11-12H2,1-4H3,(H,26,27,29);8-9,24-25H,10H2,1-7H3,(H,19,21,23);8-9,12,23H,4-7,10H2,1-3H3,(H,19,20,22)/t23-;;;;/m0..../s1
• InChIKey: AODWARAQSBRQDG-DOXBVADSSA-N
• XLogP: 19.31
• TPSA: 418.66 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.22
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide?

The IUPAC name of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide (CID 157177295) is N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide.

What is the SMILES notation for N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide?

The canonical SMILES for N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide is CC(C)(O)CC(=O)Nc1nc2ccc(C(C)(C)O)nc2n1C(C)(C)C.CC(C)(O)c1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C(C)(C)C)c2n1.CCC(C)(O)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3ccc(OCC(F)(F)F)cc3)c2n1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(-c3ccc(OC(F)(F)F)cc3)c2n1.

What is the InChIKey of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide?

The InChIKey is AODWARAQSBRQDG-DOXBVADSSA-N. The full InChI is InChI=1S/C23H30N4O3.C21H21F3N4O2.C21H23F3N4O2.C18H28N4O3.C17H24N4O2/c1-21(2,3)27-19-16(12-13-17(25-19)22(4,5)29)24-20(27)26-18(28)14-23(6,30)15-10-8-7-9-11-15;1-13-4-9-16-18(25-13)28(14-5-7-15(8-6-14)30-21(22,23)24)19(26-16)27-17(29)12-20(2)10-3-11-20;1-13-5-10-16-18(25-13)28(19(26-16)27-17(29)11-20(2,3)4)14-6-8-15(9-7-14)30-12-21(22,23)24;1-16(2,3)22-14-11(8-9-12(20-14)18(6,7)25)19-15(22)21-13(23)10-17(4,5)24;1-4-17(3,23)10-14(22)20-16-19-13-9-8-11(2)18-15(13)21(16)12-6-5-7-12/h7-13,29-30H,14H2,1-6H3,(H,24,26,28);4-9H,3,10-12H2,1-2H3,(H,26,27,29);5-10H,11-12H2,1-4H3,(H,26,27,29);8-9,24-25H,10H2,1-7H3,(H,19,21,23);8-9,12,23H,4-7,10H2,1-3H3,(H,19,20,22)/t23-;;;;/m0..../s1.

What are the key properties of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide?

N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide has a molecular weight of 1914.22 g/mol, XLogP of 19.31, 24 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3S)-N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylpentanamide;3,3-dimethyl-N-[5-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide;2-(1-methylcyclobutyl)-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 157177295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).