5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide

C113H124Cl3F14N17O14S5 — CID 159614885

About 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide

5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide (PubChem CID 159614885) has the molecular formula C113H124Cl3F14N17O14S5 and a molecular weight of 2477.01 g/mol. Its IUPAC name is 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide
• PubChem CID: 159614885
• Molecular Formula: C113H124Cl3F14N17O14S5
• Molecular Weight: 2477.01 g/mol
• Exact Mass: 2473.70
• IUPAC Name: 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide
• SMILES: CS(=O)(=O)c1cc(C2CCC2)ccc1N.CS(=O)(=O)c1cc(C2CCC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1N=C(C(F)F)C2.CS(=O)(=O)c1cc(C2CCC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc(C2CCC2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CSc1cc(C2CCC2)ccc1N.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C28H30F4N4O4S.C24H23F4N3O3S.C23H25ClF2N4O3S.C12H11Cl2F2N3O.C11H15NO2S.C11H15NS.C4H5F2NO/c1-41(38,39)22-11-16(15-5-4-6-15)8-9-19(22)34-20-12-17(13-21(37)18-14-28(18,31)32)33-26-24(20)35-27(25(29)30)36(26)23-7-2-3-10-40-23;1-35(33,34)21-7-13(12-3-2-4-12)5-6-16(21)30-17-8-14(9-20(32)15-11-24(15,27)28)29-18-10-19(23(25)26)31-22(17)18;1-34(31,32)17-11-14(13-5-4-6-13)8-9-15(17)27-16-12-18(24)28-22-20(16)29-23(21(25)26)30(22)19-7-2-3-10-33-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-15(13,14)11-7-9(5-6-10(11)12)8-3-2-4-8;1-13-11-7-9(5-6-10(11)12)8-3-2-4-8;5-4(6)1-2(4)3(7)8/h8-9,11-12,15,18,23,25H,2-7,10,13-14H2,1H3,(H,33,34);5-8,12,15,23H,2-4,9-11H2,1H3,(H,29,30);8-9,11-13,19,21H,2-7,10H2,1H3,(H,27,28);5,8,10H,1-4H2;5-8H,2-4,12H2,1H3;5-8H,2-4,12H2,1H3;2H,1H2,(H2,7,8)
• InChIKey: MNDWJLBZRSGEFA-UHFFFAOYSA-N
• XLogP: 27.24
• TPSA: 446.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2477.01
LogP ≤ 5	27.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide?

The IUPAC name of 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide (CID 159614885) is 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide.

What is the SMILES notation for 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide?

The canonical SMILES for 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide is CS(=O)(=O)c1cc(C2CCC2)ccc1N.CS(=O)(=O)c1cc(C2CCC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1N=C(C(F)F)C2.CS(=O)(=O)c1cc(C2CCC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc(C2CCC2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CSc1cc(C2CCC2)ccc1N.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F.

What is the InChIKey of 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide?

The InChIKey is MNDWJLBZRSGEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4N4O4S.C24H23F4N3O3S.C23H25ClF2N4O3S.C12H11Cl2F2N3O.C11H15NO2S.C11H15NS.C4H5F2NO/c1-41(38,39)22-11-16(15-5-4-6-15)8-9-19(22)34-20-12-17(13-21(37)18-14-28(18,31)32)33-26-24(20)35-27(25(29)30)36(26)23-7-2-3-10-40-23;1-35(33,34)21-7-13(12-3-2-4-12)5-6-16(21)30-17-8-14(9-20(32)15-11-24(15,27)28)29-18-10-19(23(25)26)31-22(17)18;1-34(31,32)17-11-14(13-5-4-6-13)8-9-15(17)27-16-12-18(24)28-22-20(16)29-23(21(25)26)30(22)19-7-2-3-10-33-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-15(13,14)11-7-9(5-6-10(11)12)8-3-2-4-8;1-13-11-7-9(5-6-10(11)12)8-3-2-4-8;5-4(6)1-2(4)3(7)8/h8-9,11-12,15,18,23,25H,2-7,10,13-14H2,1H3,(H,33,34);5-8,12,15,23H,2-4,9-11H2,1H3,(H,29,30);8-9,11-13,19,21H,2-7,10H2,1H3,(H,27,28);5,8,10H,1-4H2;5-8H,2-4,12H2,1H3;5-8H,2-4,12H2,1H3;2H,1H2,(H2,7,8).

What are the key properties of 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide?

5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 2477.01 g/mol, XLogP of 27.24, 30 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(4-cyclobutyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclobutyl-2-methylsulfanylaniline;4-cyclobutyl-2-methylsulfonylaniline;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-(2,2-difluorocyclopropyl)ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 159614885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).