(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide

C60H70ClN13O6S — CID 158943224

About (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide

(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide (PubChem CID 158943224) has the molecular formula C60H70ClN13O6S and a molecular weight of 1136.82 g/mol. Its IUPAC name is (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide.

Molecular Properties

• Compound Name: (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide
• PubChem CID: 158943224
• Molecular Formula: C60H70ClN13O6S
• Molecular Weight: 1136.82 g/mol
• Exact Mass: 1135.50
• IUPAC Name: (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide
• SMILES: CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2cccnc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3nccs3)n(C(C)(C)C)c2n1
• InChI: InChI=1S/C21H23ClN4O2.C21H24N4O2.C18H23N5O2S/c1-2-21(28,14-7-4-3-5-8-14)13-18(27)25-20-23-16-11-12-17(22)24-19(16)26(20)15-9-6-10-15;1-2-21(27,15-8-4-3-5-9-15)14-18(26)24-20-23-17-12-7-13-22-19(17)25(20)16-10-6-11-16;1-11-6-7-12-14(20-11)23(17(2,3)4)16(21-12)22-13(24)10-18(5,25)15-19-8-9-26-15/h3-5,7-8,11-12,15,28H,2,6,9-10,13H2,1H3,(H,23,25,27);3-5,7-9,12-13,16,27H,2,6,10-11,14H2,1H3,(H,23,24,26);6-9,25H,10H2,1-5H3,(H,21,22,24)/t;;18-/m..0/s1
• InChIKey: JKMXJTQMMLQIAN-BVWZTCPQSA-N
• XLogP: 11.41
• TPSA: 253.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1136.82
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?

The IUPAC name of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide (CID 158943224) is (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide.

What is the SMILES notation for (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?

The canonical SMILES for (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide is CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2cccnc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3nccs3)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-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?

The InChIKey is JKMXJTQMMLQIAN-BVWZTCPQSA-N. The full InChI is InChI=1S/C21H23ClN4O2.C21H24N4O2.C18H23N5O2S/c1-2-21(28,14-7-4-3-5-8-14)13-18(27)25-20-23-16-11-12-17(22)24-19(16)26(20)15-9-6-10-15;1-2-21(27,15-8-4-3-5-9-15)14-18(26)24-20-23-17-12-7-13-22-19(17)25(20)16-10-6-11-16;1-11-6-7-12-14(20-11)23(17(2,3)4)16(21-12)22-13(24)10-18(5,25)15-19-8-9-26-15/h3-5,7-8,11-12,15,28H,2,6,9-10,13H2,1H3,(H,23,25,27);3-5,7-9,12-13,16,27H,2,6,10-11,14H2,1H3,(H,23,24,26);6-9,25H,10H2,1-5H3,(H,21,22,24)/t;;18-/m..0/s1.

What are the key properties of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?

(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide has a molecular weight of 1136.82 g/mol, XLogP of 11.41, 16 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-hydroxy-3-(1,3-thiazol-2-yl)butanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide is sourced from PubChem (CID 158943224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).