N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide

C81H108Cl3F5N20O7 — CID 159938666

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F.CC(C)n1c(NC(=O)CCOC(C)(C)C)nc2ccc(Cl)nc21.CC(F)(F)C(C)(C)C(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.Cc1ccnc2c1nc(NC(=O)CC(C)(C)C)n2C1CCC1.Cc1ccnc2c1nc(NC(=O)CCOC(C)(C)C)n2C1CCC1
InChIInChI=1S/C18H26N4O2.C17H24N4O.C16H19ClF2N4O.C16H23ClN4O2.C14H16ClF3N4O/c1-12-8-10-19-16-15(12)21-17(22(16)13-6-5-7-13)20-14(23)9-11-24-18(2,3)4;1-11-8-9-18-15-14(11)20-16(21(15)12-6-5-7-12)19-13(22)10-17(2,3)4;1-15(2,16(3,18)19)13(24)22-14-20-10-7-8-11(17)21-12(10)23(14)9-5-4-6-9;1-10(2)21-14-11(6-7-12(17)19-14)18-15(21)20-13(22)8-9-23-16(3,4)5;1-13(2,3)6-10(23)21-12-19-8-4-5-9(15)20-11(8)22(12)7-14(16,17)18/h8,10,13H,5-7,9,11H2,1-4H3,(H,20,21,23);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);7-9H,4-6H2,1-3H3,(H,20,22,24);6-7,10H,8-9H2,1-5H3,(H,18,20,22);4-5H,6-7H2,1-3H3,(H,19,21,23)
InChIKeyOAOYIHPPPSKSHX-UHFFFAOYSA-N
MW1675.24 g/mol
LogP19.71
Rot. Bonds20

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 159938666) has the molecular formula C81H108Cl3F5N20O7 and a molecular weight of 1675.24 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID159938666
Molecular FormulaC81H108Cl3F5N20O7
Molecular Weight1675.24 g/mol
Exact Mass1672.77
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F.CC(C)n1c(NC(=O)CCOC(C)(C)C)nc2ccc(Cl)nc21.CC(F)(F)C(C)(C)C(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.Cc1ccnc2c1nc(NC(=O)CC(C)(C)C)n2C1CCC1.Cc1ccnc2c1nc(NC(=O)CCOC(C)(C)C)n2C1CCC1
InChIInChI=1S/C18H26N4O2.C17H24N4O.C16H19ClF2N4O.C16H23ClN4O2.C14H16ClF3N4O/c1-12-8-10-19-16-15(12)21-17(22(16)13-6-5-7-13)20-14(23)9-11-24-18(2,3)4;1-11-8-9-18-15-14(11)20-16(21(15)12-6-5-7-12)19-13(22)10-17(2,3)4;1-15(2,16(3,18)19)13(24)22-14-20-10-7-8-11(17)21-12(10)23(14)9-5-4-6-9;1-10(2)21-14-11(6-7-12(17)19-14)18-15(21)20-13(22)8-9-23-16(3,4)5;1-13(2,3)6-10(23)21-12-19-8-4-5-9(15)20-11(8)22(12)7-14(16,17)18/h8,10,13H,5-7,9,11H2,1-4H3,(H,20,21,23);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);7-9H,4-6H2,1-3H3,(H,20,22,24);6-7,10H,8-9H2,1-5H3,(H,18,20,22);4-5H,6-7H2,1-3H3,(H,19,21,23)
InChIKeyOAOYIHPPPSKSHX-UHFFFAOYSA-N
XLogP19.71
TPSA317.51 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms116
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.24
LogP ≤ 519.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide 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)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 159938666) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F.CC(C)n1c(NC(=O)CCOC(C)(C)C)nc2ccc(Cl)nc21.CC(F)(F)C(C)(C)C(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.Cc1ccnc2c1nc(NC(=O)CC(C)(C)C)n2C1CCC1.Cc1ccnc2c1nc(NC(=O)CCOC(C)(C)C)n2C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is OAOYIHPPPSKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C17H24N4O.C16H19ClF2N4O.C16H23ClN4O2.C14H16ClF3N4O/c1-12-8-10-19-16-15(12)21-17(22(16)13-6-5-7-13)20-14(23)9-11-24-18(2,3)4;1-11-8-9-18-15-14(11)20-16(21(15)12-6-5-7-12)19-13(22)10-17(2,3)4;1-15(2,16(3,18)19)13(24)22-14-20-10-7-8-11(17)21-12(10)23(14)9-5-4-6-9;1-10(2)21-14-11(6-7-12(17)19-14)18-15(21)20-13(22)8-9-23-16(3,4)5;1-13(2,3)6-10(23)21-12-19-8-4-5-9(15)20-11(8)22(12)7-14(16,17)18/h8,10,13H,5-7,9,11H2,1-4H3,(H,20,21,23);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);7-9H,4-6H2,1-3H3,(H,20,22,24);6-7,10H,8-9H2,1-5H3,(H,18,20,22);4-5H,6-7H2,1-3H3,(H,19,21,23).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 1675.24 g/mol, XLogP of 19.71, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 159938666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).