N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride

C105H134Cl3F3N26O9 — CID 160951398

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(N3CCOCC3)nc2n1C1CCC1.CC(C)(C)OCCC(=O)Nc1nc2cccnc2n1CC(F)(F)F.CCCn1c(NC(=O)CCc2ccccc2)nc2ccc(Cl)nc21.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)CCOC(C)(C)C)n(C3CCC3)c2n1.Cl.O=C(Cc1ccccn1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C20H29N5O2.C18H19ClN4O.C18H26N4O2.C17H16ClN5O.C17H24N4O.C15H19F3N4O2.ClH/c1-20(2,3)13-17(26)23-19-21-15-7-8-16(24-9-11-27-12-10-24)22-18(15)25(19)14-5-4-6-14;1-2-12-23-17-14(9-10-15(19)21-17)20-18(23)22-16(24)11-8-13-6-4-3-5-7-13;1-12-8-9-14-16(19-12)22(13-6-5-7-13)17(20-14)21-15(23)10-11-24-18(2,3)4;18-14-8-7-13-16(21-14)23(12-5-3-6-12)17(20-13)22-15(24)10-11-4-1-2-9-19-11;1-11-8-9-13-15(18-11)21(12-6-5-7-12)16(19-13)20-14(22)10-17(2,3)4;1-14(2,3)24-8-6-11(23)21-13-20-10-5-4-7-19-12(10)22(13)9-15(16,17)18;/h7-8,14H,4-6,9-13H2,1-3H3,(H,21,23,26);3-7,9-10H,2,8,11-12H2,1H3,(H,20,22,24);8-9,13H,5-7,10-11H2,1-4H3,(H,20,21,23);1-2,4,7-9,12H,3,5-6,10H2,(H,20,22,24);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);4-5,7H,6,8-9H2,1-3H3,(H,20,21,23);1H
InChIKeyOINLWPUSMXBXPT-UHFFFAOYSA-N
MW2067.75 g/mol
LogP21.83
Rot. Bonds27

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride (PubChem CID 160951398) has the molecular formula C105H134Cl3F3N26O9 and a molecular weight of 2067.75 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride
PubChem CID160951398
Molecular FormulaC105H134Cl3F3N26O9
Molecular Weight2067.75 g/mol
Exact Mass2064.98
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(N3CCOCC3)nc2n1C1CCC1.CC(C)(C)OCCC(=O)Nc1nc2cccnc2n1CC(F)(F)F.CCCn1c(NC(=O)CCc2ccccc2)nc2ccc(Cl)nc21.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)CCOC(C)(C)C)n(C3CCC3)c2n1.Cl.O=C(Cc1ccccn1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C20H29N5O2.C18H19ClN4O.C18H26N4O2.C17H16ClN5O.C17H24N4O.C15H19F3N4O2.ClH/c1-20(2,3)13-17(26)23-19-21-15-7-8-16(24-9-11-27-12-10-24)22-18(15)25(19)14-5-4-6-14;1-2-12-23-17-14(9-10-15(19)21-17)20-18(23)22-16(24)11-8-13-6-4-3-5-7-13;1-12-8-9-14-16(19-12)22(13-6-5-7-13)17(20-14)21-15(23)10-11-24-18(2,3)4;18-14-8-7-13-16(21-14)23(12-5-3-6-12)17(20-13)22-15(24)10-11-4-1-2-9-19-11;1-11-8-9-13-15(18-11)21(12-6-5-7-12)16(19-13)20-14(22)10-17(2,3)4;1-14(2,3)24-8-6-11(23)21-13-20-10-5-4-7-19-12(10)22(13)9-15(16,17)18;/h7-8,14H,4-6,9-13H2,1-3H3,(H,21,23,26);3-7,9-10H,2,8,11-12H2,1H3,(H,20,22,24);8-9,13H,5-7,10-11H2,1-4H3,(H,20,21,23);1-2,4,7-9,12H,3,5-6,10H2,(H,20,22,24);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);4-5,7H,6,8-9H2,1-3H3,(H,20,21,23);1H
InChIKeyOINLWPUSMXBXPT-UHFFFAOYSA-N
XLogP21.83
TPSA402.68 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.75
LogP ≤ 521.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride (CID 160951398) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride is CC(C)(C)CC(=O)Nc1nc2ccc(N3CCOCC3)nc2n1C1CCC1.CC(C)(C)OCCC(=O)Nc1nc2cccnc2n1CC(F)(F)F.CCCn1c(NC(=O)CCc2ccccc2)nc2ccc(Cl)nc21.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)CCOC(C)(C)C)n(C3CCC3)c2n1.Cl.O=C(Cc1ccccn1)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?
The InChIKey is OINLWPUSMXBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.C18H19ClN4O.C18H26N4O2.C17H16ClN5O.C17H24N4O.C15H19F3N4O2.ClH/c1-20(2,3)13-17(26)23-19-21-15-7-8-16(24-9-11-27-12-10-24)22-18(15)25(19)14-5-4-6-14;1-2-12-23-17-14(9-10-15(19)21-17)20-18(23)22-16(24)11-8-13-6-4-3-5-7-13;1-12-8-9-14-16(19-12)22(13-6-5-7-13)17(20-14)21-15(23)10-11-24-18(2,3)4;18-14-8-7-13-16(21-14)23(12-5-3-6-12)17(20-13)22-15(24)10-11-4-1-2-9-19-11;1-11-8-9-13-15(18-11)21(12-6-5-7-12)16(19-13)20-14(22)10-17(2,3)4;1-14(2,3)24-8-6-11(23)21-13-20-10-5-4-7-19-12(10)22(13)9-15(16,17)18;/h7-8,14H,4-6,9-13H2,1-3H3,(H,21,23,26);3-7,9-10H,2,8,11-12H2,1H3,(H,20,22,24);8-9,13H,5-7,10-11H2,1-4H3,(H,20,21,23);1-2,4,7-9,12H,3,5-6,10H2,(H,20,22,24);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);4-5,7H,6,8-9H2,1-3H3,(H,20,21,23);1H.
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride has a molecular weight of 2067.75 g/mol, XLogP of 21.83, 27 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-pyridin-2-ylacetamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;3-[(2-methylpropan-2-yl)oxy]-N-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 160951398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).