(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide

C59H79FN12O6 — CID 158458090

About (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide

(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 158458090) has the molecular formula C59H79FN12O6 and a molecular weight of 1071.36 g/mol. Its IUPAC name is (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
• PubChem CID: 158458090
• Molecular Formula: C59H79FN12O6
• Molecular Weight: 1071.36 g/mol
• Exact Mass: 1070.62
• IUPAC Name: (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
• SMILES: CCC(O)(CF)CC(=O)Nc1nc2cc(C3CC3)c(C)nc2n1C1CCC1.Cc1ccc2nc(NC(=O)C[C@](C)(O)C3=CCC=C3)n(C(C)(C)C)c2n1.Cc1nc2c(cc1C1CC1)nc(NC(=O)CC(C)(C)O)n2C1CCC1
• InChI: InChI=1S/C20H27FN4O2.C20H26N4O2.C19H26N4O2/c1-3-20(27,11-21)10-17(26)24-19-23-16-9-15(13-7-8-13)12(2)22-18(16)25(19)14-5-4-6-14;1-13-10-11-15-17(21-13)24(19(2,3)4)18(22-15)23-16(25)12-20(5,26)14-8-6-7-9-14;1-11-14(12-7-8-12)9-15-17(20-11)23(13-5-4-6-13)18(21-15)22-16(24)10-19(2,3)25/h9,13-14,27H,3-8,10-11H2,1-2H3,(H,23,24,26);6,8-11,26H,7,12H2,1-5H3,(H,22,23,25);9,12-13,25H,4-8,10H2,1-3H3,(H,21,22,24)/t;20-;/m.0./s1
• InChIKey: HEUYWQIQZYCYJQ-FHIAPGCQSA-N
• XLogP: 10.68
• TPSA: 240.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1071.36
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

The IUPAC name of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide (CID 158458090) is (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide.

What is the SMILES notation for (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

The canonical SMILES for (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide is CCC(O)(CF)CC(=O)Nc1nc2cc(C3CC3)c(C)nc2n1C1CCC1.Cc1ccc2nc(NC(=O)C[C@](C)(O)C3=CCC=C3)n(C(C)(C)C)c2n1.Cc1nc2c(cc1C1CC1)nc(NC(=O)CC(C)(C)O)n2C1CCC1.

What is the InChIKey of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

The InChIKey is HEUYWQIQZYCYJQ-FHIAPGCQSA-N. The full InChI is InChI=1S/C20H27FN4O2.C20H26N4O2.C19H26N4O2/c1-3-20(27,11-21)10-17(26)24-19-23-16-9-15(13-7-8-13)12(2)22-18(16)25(19)14-5-4-6-14;1-13-10-11-15-17(21-13)24(19(2,3)4)18(22-15)23-16(25)12-20(5,26)14-8-6-7-9-14;1-11-14(12-7-8-12)9-15-17(20-11)23(13-5-4-6-13)18(21-15)22-16(24)10-19(2,3)25/h9,13-14,27H,3-8,10-11H2,1-2H3,(H,23,24,26);6,8-11,26H,7,12H2,1-5H3,(H,22,23,25);9,12-13,25H,4-8,10H2,1-3H3,(H,21,22,24)/t;20-;/m.0./s1.

What are the key properties of (3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

(3S)-N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 1071.36 g/mol, XLogP of 10.68, 16 rotatable bonds, 6 hydrogen bond donors, and 15 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-cyclopenta-1,4-dien-1-yl-3-hydroxybutanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-6-cyclopropyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 158458090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).