5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline

C₁₀₂H₁₀₉Cl₃F₁₄N₁₆O₁₈S₄ — CID 158112182

About 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline

5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline (PubChem CID 158112182) has the molecular formula C₁₀₂H₁₀₉Cl₃F₁₄N₁₆O₁₈S₄ and a molecular weight of 2347.69 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline
• PubChem CID: 158112182
• Molecular Formula: C₁₀₂H₁₀₉Cl₃F₁₄N₁₆O₁₈S₄
• Molecular Weight: 2347.69 g/mol
• Exact Mass: 2344.58
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline
• SMILES: CS(=O)(=O)c1cc([C@@H]2CCCO2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1N=C(C(F)F)C2.CS(=O)(=O)c1cc([C@@H]2CCCO2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@H]2CCCO2)ccc1N.CS(=O)(=O)c1cc([C@H]2CCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C28H30F4N4O5S.C24H23F4N3O4S.C23H25ClF2N4O4S.C12H11Cl2F2N3O.C11H15NO3S.C4H5F2NO/c1-42(38,39)22-11-15(21-5-4-10-40-21)7-8-18(22)34-19-12-16(13-20(37)17-14-28(17,31)32)33-26-24(19)35-27(25(29)30)36(26)23-6-2-3-9-41-23;1-36(33,34)21-7-12(20-3-2-6-35-20)4-5-15(21)30-16-8-13(9-19(32)14-11-24(14,27)28)29-17-10-18(23(25)26)31-22(16)17;1-35(31,32)17-11-13(16-5-4-10-33-16)7-8-14(17)27-15-12-18(24)28-22-20(15)29-23(21(25)26)30(22)19-6-2-3-9-34-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-16(13,14)11-7-8(4-5-9(11)12)10-3-2-6-15-10;5-4(6)1-2(4)3(7)8/h7-8,11-12,17,21,23,25H,2-6,9-10,13-14H2,1H3,(H,33,34);4-5,7-8,14,20,23H,2-3,6,9-11H2,1H3,(H,29,30);7-8,11-12,16,19,21H,2-6,9-10H2,1H3,(H,27,28);5,8,10H,1-4H2;4-5,7,10H,2-3,6,12H2,1H3;2H,1H2,(H2,7,8)/t17?,21-,23?;14?,20-;16-,19?;;10-;/m001.1./s1
• InChIKey: FQOMBKRBRSRBKA-PGLUOFJASA-N
• XLogP: 22.32
• TPSA: 457.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2347.69
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

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-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline (CID 158112182) is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline is CS(=O)(=O)c1cc([C@@H]2CCCO2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1N=C(C(F)F)C2.CS(=O)(=O)c1cc([C@@H]2CCCO2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@H]2CCCO2)ccc1N.CS(=O)(=O)c1cc([C@H]2CCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline?

The InChIKey is FQOMBKRBRSRBKA-PGLUOFJASA-N. The full InChI is InChI=1S/C28H30F4N4O5S.C24H23F4N3O4S.C23H25ClF2N4O4S.C12H11Cl2F2N3O.C11H15NO3S.C4H5F2NO/c1-42(38,39)22-11-15(21-5-4-10-40-21)7-8-18(22)34-19-12-16(13-20(37)17-14-28(17,31)32)33-26-24(19)35-27(25(29)30)36(26)23-6-2-3-9-41-23;1-36(33,34)21-7-12(20-3-2-6-35-20)4-5-15(21)30-16-8-13(9-19(32)14-11-24(14,27)28)29-17-10-18(23(25)26)31-22(16)17;1-35(31,32)17-11-13(16-5-4-10-33-16)7-8-14(17)27-15-12-18(24)28-22-20(15)29-23(21(25)26)30(22)19-6-2-3-9-34-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-16(13,14)11-7-8(4-5-9(11)12)10-3-2-6-15-10;5-4(6)1-2(4)3(7)8/h7-8,11-12,17,21,23,25H,2-6,9-10,13-14H2,1H3,(H,33,34);4-5,7-8,14,20,23H,2-3,6,9-11H2,1H3,(H,29,30);7-8,11-12,16,19,21H,2-6,9-10H2,1H3,(H,27,28);5,8,10H,1-4H2;4-5,7,10H,2-3,6,12H2,1H3;2H,1H2,(H2,7,8)/t17?,21-,23?;14?,20-;16-,19?;;10-;/m001.1./s1.

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline?

5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline has a molecular weight of 2347.69 g/mol, XLogP of 22.32, 28 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2R)-oxolan-2-yl]aniline is sourced from PubChem (CID 158112182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158112182 — identifiers, structure, computed properties (public domain)

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