5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride

C86H113Cl5F4N20O10 — CID 161340904

About 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride

5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride (PubChem CID 161340904) has the molecular formula C86H113Cl5F4N20O10 and a molecular weight of 1840.24 g/mol. Its IUPAC name is 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride
• PubChem CID: 161340904
• Molecular Formula: C86H113Cl5F4N20O10
• Molecular Weight: 1840.24 g/mol
• Exact Mass: 1836.73
• IUPAC Name: 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride
• SMILES: C=C(CCOC(C)(C)C)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.CC(C)Oc1ccc2nc(NC(=O)CCOC(C)(C)C)n(CC(F)(F)F)c2n1.CCCn1c(NC(=O)CCC2CCCC2)nc2ccc(Cl)nc21.COC(=O)CCn1c(NC(=O)CC(C)(C)C)nc2ccc(Cl)nc21.COCCn1c(NC(=O)CC(C)(C)C)nc2ccc(Cl)nc21.Cl
• InChI: InChI=1S/C20H22ClFN4O.C18H25F3N4O3.C17H23ClN4O.C16H21ClN4O3.C15H21ClN4O2.ClH/c1-13(11-12-27-20(2,3)4)23-19-24-16-9-10-17(21)25-18(16)26(19)15-7-5-14(22)6-8-15;1-11(2)28-14-7-6-12-15(24-14)25(10-18(19,20)21)16(22-12)23-13(26)8-9-27-17(3,4)5;1-2-11-22-16-13(8-9-14(18)20-16)19-17(22)21-15(23)10-7-12-5-3-4-6-12;1-16(2,3)9-12(22)20-15-18-10-5-6-11(17)19-14(10)21(15)8-7-13(23)24-4;1-15(2,3)9-12(21)19-14-17-10-5-6-11(16)18-13(10)20(14)7-8-22-4;/h5-10H,1,11-12H2,2-4H3,(H,23,24);6-7,11H,8-10H2,1-5H3,(H,22,23,26);8-9,12H,2-7,10-11H2,1H3,(H,19,21,23);5-6H,7-9H2,1-4H3,(H,18,20,22);5-6H,7-9H2,1-4H3,(H,17,19,21);1H
• InChIKey: NNTJDOVKBFDWLB-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 345.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.24
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?

The IUPAC name of 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride (CID 161340904) is 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride.

What is the SMILES notation for 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?

The canonical SMILES for 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride is C=C(CCOC(C)(C)C)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.CC(C)Oc1ccc2nc(NC(=O)CCOC(C)(C)C)n(CC(F)(F)F)c2n1.CCCn1c(NC(=O)CCC2CCCC2)nc2ccc(Cl)nc21.COC(=O)CCn1c(NC(=O)CC(C)(C)C)nc2ccc(Cl)nc21.COCCn1c(NC(=O)CC(C)(C)C)nc2ccc(Cl)nc21.Cl.

What is the InChIKey of 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?

The InChIKey is NNTJDOVKBFDWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O.C18H25F3N4O3.C17H23ClN4O.C16H21ClN4O3.C15H21ClN4O2.ClH/c1-13(11-12-27-20(2,3)4)23-19-24-16-9-10-17(21)25-18(16)26(19)15-7-5-14(22)6-8-15;1-11(2)28-14-7-6-12-15(24-14)25(10-18(19,20)21)16(22-12)23-13(26)8-9-27-17(3,4)5;1-2-11-22-16-13(8-9-14(18)20-16)19-17(22)21-15(23)10-7-12-5-3-4-6-12;1-16(2,3)9-12(22)20-15-18-10-5-6-11(17)19-14(10)21(15)8-7-13(23)24-4;1-15(2,3)9-12(21)19-14-17-10-5-6-11(16)18-13(10)20(14)7-8-22-4;/h5-10H,1,11-12H2,2-4H3,(H,23,24);6-7,11H,8-10H2,1-5H3,(H,22,23,26);8-9,12H,2-7,10-11H2,1H3,(H,19,21,23);5-6H,7-9H2,1-4H3,(H,18,20,22);5-6H,7-9H2,1-4H3,(H,17,19,21);1H.

What are the key properties of 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?

5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride has a molecular weight of 1840.24 g/mol, XLogP of 20.22, 29 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(4-fluorophenyl)-N-[4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]imidazo[4,5-b]pyridin-2-amine;N-[5-chloro-3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;methyl 3-[5-chloro-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-3-yl]propanoate;3-[(2-methylpropan-2-yl)oxy]-N-[5-propan-2-yloxy-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 161340904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).