3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

C99H125F3N20O6 — CID 159836034

About 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (PubChem CID 159836034) has the molecular formula C99H125F3N20O6 and a molecular weight of 1748.22 g/mol. Its IUPAC name is 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• PubChem CID: 159836034
• Molecular Formula: C99H125F3N20O6
• Molecular Weight: 1748.22 g/mol
• Exact Mass: 1747.00
• IUPAC Name: 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• SMILES: C=C(Nc1nc2cc(C)cnc2n1C1CCC1)C(C)(C)COC(C)(C)C.Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)C[C@@H](C)c3ccccc3)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)C[C@H](C)c3ccccc3)n(C3CCC3)c2n1.Cc1cnc2c(c1)nc(NC(=O)CCC1CCCO1)n2C1CCC1
• InChI: InChI=1S/2C21H24N4O.C21H32N4O.C18H21F3N4O.C18H24N4O2/c2*1-14(16-7-4-3-5-8-16)13-19(26)24-21-23-18-12-11-15(2)22-20(18)25(21)17-9-6-10-17;1-14-11-17-18(22-12-14)25(16-9-8-10-16)19(24-17)23-15(2)21(6,7)13-26-20(3,4)5;1-10-6-7-13-15(22-10)25(12-4-3-5-12)16(23-13)24-14(26)8-11-9-18(20,21)17(11,2)19;1-12-10-15-17(19-11-12)22(13-4-2-5-13)18(20-15)21-16(23)8-7-14-6-3-9-24-14/h2*3-5,7-8,11-12,14,17H,6,9-10,13H2,1-2H3,(H,23,24,26);11-12,16H,2,8-10,13H2,1,3-7H3,(H,23,24);6-7,11-12H,3-5,8-9H2,1-2H3,(H,23,24,26);10-11,13-14H,2-9H2,1H3,(H,20,21,23)/t2*14-;;;/m10.../s1
• InChIKey: NOBWSDGOLRGSHO-UQEZSFNJSA-N
• XLogP: 21.96
• TPSA: 300.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.22
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The IUPAC name of 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (CID 159836034) is 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

What is the SMILES notation for 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The canonical SMILES for 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is C=C(Nc1nc2cc(C)cnc2n1C1CCC1)C(C)(C)COC(C)(C)C.Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)C[C@@H](C)c3ccccc3)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)C[C@H](C)c3ccccc3)n(C3CCC3)c2n1.Cc1cnc2c(c1)nc(NC(=O)CCC1CCCO1)n2C1CCC1.

What is the InChIKey of 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The InChIKey is NOBWSDGOLRGSHO-UQEZSFNJSA-N. The full InChI is InChI=1S/2C21H24N4O.C21H32N4O.C18H21F3N4O.C18H24N4O2/c2*1-14(16-7-4-3-5-8-16)13-19(26)24-21-23-18-12-11-15(2)22-20(18)25(21)17-9-6-10-17;1-14-11-17-18(22-12-14)25(16-9-8-10-16)19(24-17)23-15(2)21(6,7)13-26-20(3,4)5;1-10-6-7-13-15(22-10)25(12-4-3-5-12)16(23-13)24-14(26)8-11-9-18(20,21)17(11,2)19;1-12-10-15-17(19-11-12)22(13-4-2-5-13)18(20-15)21-16(23)8-7-14-6-3-9-24-14/h2*3-5,7-8,11-12,14,17H,6,9-10,13H2,1-2H3,(H,23,24,26);11-12,16H,2,8-10,13H2,1,3-7H3,(H,23,24);6-7,11-12H,3-5,8-9H2,1-2H3,(H,23,24,26);10-11,13-14H,2-9H2,1H3,(H,20,21,23)/t2*14-;;;/m10.../s1.

What are the key properties of 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide has a molecular weight of 1748.22 g/mol, XLogP of 21.96, 25 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is sourced from PubChem (CID 159836034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).