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

C102H117Cl3F6N16O18S4 — CID 159086550

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

5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline (PubChem CID 159086550) has the molecular formula C102H117Cl3F6N16O18S4 and a molecular weight of 2203.77 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline
• PubChem CID: 159086550
• Molecular Formula: C102H117Cl3F6N16O18S4
• Molecular Weight: 2203.77 g/mol
• Exact Mass: 2200.66
• IUPAC Name: 5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline
• SMILES: CC1=Nc2c(Nc3ccc([C@H]4CCCO4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2C1.CS(=O)(=O)c1cc([C@@H]2CCCO2)ccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc([C@@H]4CCCO4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc([C@H]4CCCO4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C28H32F2N4O5S.C24H25F2N3O4S.C23H27ClN4O4S.C12H13Cl2N3O.C11H15NO3S.C4H5F2NO/c1-16-31-26-21(33-20-9-8-17(23-6-5-11-38-23)12-24(20)40(2,36)37)13-18(14-22(35)19-15-28(19,29)30)32-27(26)34(16)25-7-3-4-10-39-25;1-13-8-18-23(27-13)19(10-15(28-18)11-20(30)16-12-24(16,25)26)29-17-6-5-14(21-4-3-7-33-21)9-22(17)34(2,31)32;1-14-25-22-17(13-20(24)27-23(22)28(14)21-7-3-4-10-32-21)26-16-9-8-15(18-6-5-11-31-18)12-19(16)33(2,29)30;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;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/h8-9,12-13,19,23,25H,3-7,10-11,14-15H2,1-2H3,(H,32,33);5-6,9-10,16,21H,3-4,7-8,11-12H2,1-2H3,(H,28,29);8-9,12-13,18,21H,3-7,10-11H2,1-2H3,(H,26,27);6,10H,2-5H2,1H3;4-5,7,10H,2-3,6,12H2,1H3;2H,1H2,(H2,7,8)/t19?,23-,25?;16?,21-;18-,21?;;10-;/m110.0./s1
• InChIKey: KBMXSUIHCOYMSL-IKUOGCCOSA-N
• XLogP: 20.19
• TPSA: 457.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2203.77
LogP ≤ 5	20.19
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-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline?

The IUPAC name of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline (CID 159086550) is 5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline.

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

The canonical SMILES for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline is CC1=Nc2c(Nc3ccc([C@H]4CCCO4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2C1.CS(=O)(=O)c1cc([C@@H]2CCCO2)ccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc([C@@H]4CCCO4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc([C@H]4CCCO4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F.

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

The InChIKey is KBMXSUIHCOYMSL-IKUOGCCOSA-N. The full InChI is InChI=1S/C28H32F2N4O5S.C24H25F2N3O4S.C23H27ClN4O4S.C12H13Cl2N3O.C11H15NO3S.C4H5F2NO/c1-16-31-26-21(33-20-9-8-17(23-6-5-11-38-23)12-24(20)40(2,36)37)13-18(14-22(35)19-15-28(19,29)30)32-27(26)34(16)25-7-3-4-10-39-25;1-13-8-18-23(27-13)19(10-15(28-18)11-20(30)16-12-24(16,25)26)29-17-6-5-14(21-4-3-7-33-21)9-22(17)34(2,31)32;1-14-25-22-17(13-20(24)27-23(22)28(14)21-7-3-4-10-32-21)26-16-9-8-15(18-6-5-11-31-18)12-19(16)33(2,29)30;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;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/h8-9,12-13,19,23,25H,3-7,10-11,14-15H2,1-2H3,(H,32,33);5-6,9-10,16,21H,3-4,7-8,11-12H2,1-2H3,(H,28,29);8-9,12-13,18,21H,3-7,10-11H2,1-2H3,(H,26,27);6,10H,2-5H2,1H3;4-5,7,10H,2-3,6,12H2,1H3;2H,1H2,(H2,7,8)/t19?,23-,25?;16?,21-;18-,21?;;10-;/m110.0./s1.

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

5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline has a molecular weight of 2203.77 g/mol, XLogP of 20.19, 24 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-[(2S)-oxolan-2-yl]aniline is sourced from PubChem (CID 159086550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).