(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

C62H73F3N12O7S — CID 159624116

About (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (PubChem CID 159624116) has the molecular formula C62H73F3N12O7S and a molecular weight of 1187.40 g/mol. Its IUPAC name is (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

• Compound Name: (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
• PubChem CID: 159624116
• Molecular Formula: C62H73F3N12O7S
• Molecular Weight: 1187.40 g/mol
• Exact Mass: 1186.54
• IUPAC Name: (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
• SMILES: C[C@](O)(CC(=O)Nc1nc2cc(C3CC3)c(C(F)(F)F)nc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3ccco3)n(C(C)(C)C)c2n1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3cccs3)n(C(C)(C)C)c2n1
• InChI: InChI=1S/C24H25F3N4O2.C19H24N4O3.C19H24N4O2S/c1-23(33,15-6-3-2-4-7-15)13-19(32)29-22-28-18-12-17(14-10-11-14)20(24(25,26)27)30-21(18)31(22)16-8-5-9-16;2*1-12-8-9-13-16(20-12)23(18(2,3)4)17(21-13)22-15(24)11-19(5,25)14-7-6-10-26-14/h2-4,6-7,12,14,16,33H,5,8-11,13H2,1H3,(H,28,29,32);2*6-10,25H,11H2,1-5H3,(H,21,22,24)/t23-;2*19-/m000/s1
• InChIKey: MOGPCMYDBMZIHD-HOPASFRVSA-N
• XLogP: 12.41
• TPSA: 253.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1187.40
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?

The IUPAC name of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (CID 159624116) is (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.

What is the SMILES notation for (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?

The canonical SMILES for (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide is C[C@](O)(CC(=O)Nc1nc2cc(C3CC3)c(C(F)(F)F)nc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3ccco3)n(C(C)(C)C)c2n1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3cccs3)n(C(C)(C)C)c2n1.

What is the InChIKey of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?

The InChIKey is MOGPCMYDBMZIHD-HOPASFRVSA-N. The full InChI is InChI=1S/C24H25F3N4O2.C19H24N4O3.C19H24N4O2S/c1-23(33,15-6-3-2-4-7-15)13-19(32)29-22-28-18-12-17(14-10-11-14)20(24(25,26)27)30-21(18)31(22)16-8-5-9-16;2*1-12-8-9-13-16(20-12)23(18(2,3)4)17(21-13)22-15(24)11-19(5,25)14-7-6-10-26-14/h2-4,6-7,12,14,16,33H,5,8-11,13H2,1H3,(H,28,29,32);2*6-10,25H,11H2,1-5H3,(H,21,22,24)/t23-;2*19-/m000/s1.

What are the key properties of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?

(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 1187.40 g/mol, XLogP of 12.41, 14 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-thiophen-2-ylbutanamide;(3S)-N-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 159624116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).