5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline

C117H143Cl3F10N16O23S6 — CID 158359410

IUPAC5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline
SMILESCS(=O)(=O)c1cc(C2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@H]2CCCCO2)ccc1N.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
InChIInChI=1S/C29H32F4N4O5S.C24H27ClF2N4O4S.C12H11Cl2F2N3O.4C12H17NO3S.C4H5F2NO/c1-43(39,40)23-12-16(22-6-2-4-10-41-22)8-9-19(23)35-20-13-17(14-21(38)18-15-29(18,32)33)34-27-25(20)36-28(26(30)31)37(27)24-7-3-5-11-42-24;1-36(32,33)18-12-14(17-6-2-4-10-34-17)8-9-15(18)28-16-13-19(25)29-23-21(16)30-24(22(26)27)31(23)20-7-3-5-11-35-20;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;4*1-17(14,15)12-8-9(5-6-10(12)13)11-4-2-3-7-16-11;5-4(6)1-2(4)3(7)8/h8-9,12-13,18,22,24,26H,2-7,10-11,14-15H2,1H3,(H,34,35);8-9,12-13,17,20,22H,2-7,10-11H2,1H3,(H,28,29);5,8,10H,1-4H2;4*5-6,8,11H,2-4,7,13H2,1H3;2H,1H2,(H2,7,8)/t18?,22-,24?;17-,20?;;3*11-;;/m00.100../s1
InChIKeyGTHAEKURWCVCFO-QFAGFVJASA-N
MW2630.26 g/mol
LogP24.49
Rot. Bonds26

About 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline

5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline (PubChem CID 158359410) has the molecular formula C117H143Cl3F10N16O23S6 and a molecular weight of 2630.26 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline
PubChem CID158359410
Molecular FormulaC117H143Cl3F10N16O23S6
Molecular Weight2630.26 g/mol
Exact Mass2626.77
IUPAC Name5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline
SMILESCS(=O)(=O)c1cc(C2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@H]2CCCCO2)ccc1N.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
InChIInChI=1S/C29H32F4N4O5S.C24H27ClF2N4O4S.C12H11Cl2F2N3O.4C12H17NO3S.C4H5F2NO/c1-43(39,40)23-12-16(22-6-2-4-10-41-22)8-9-19(23)35-20-13-17(14-21(38)18-15-29(18,32)33)34-27-25(20)36-28(26(30)31)37(27)24-7-3-5-11-42-24;1-36(32,33)18-12-14(17-6-2-4-10-34-17)8-9-15(18)28-16-13-19(25)29-23-21(16)30-24(22(26)27)31(23)20-7-3-5-11-35-20;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;4*1-17(14,15)12-8-9(5-6-10(12)13)11-4-2-3-7-16-11;5-4(6)1-2(4)3(7)8/h8-9,12-13,18,22,24,26H,2-7,10-11,14-15H2,1H3,(H,34,35);8-9,12-13,17,20,22H,2-7,10-11H2,1H3,(H,28,29);5,8,10H,1-4H2;4*5-6,8,11H,2-4,7,13H2,1H3;2H,1H2,(H2,7,8)/t18?,22-,24?;17-,20?;;3*11-;;/m00.100../s1
InChIKeyGTHAEKURWCVCFO-QFAGFVJASA-N
XLogP24.49
TPSA568.34 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002630.26
LogP ≤ 524.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline (CID 158359410) is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline is CS(=O)(=O)c1cc(C2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@@H]2CCCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@H]2CCCCO2)ccc1N.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-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline?
The InChIKey is GTHAEKURWCVCFO-QFAGFVJASA-N. The full InChI is InChI=1S/C29H32F4N4O5S.C24H27ClF2N4O4S.C12H11Cl2F2N3O.4C12H17NO3S.C4H5F2NO/c1-43(39,40)23-12-16(22-6-2-4-10-41-22)8-9-19(23)35-20-13-17(14-21(38)18-15-29(18,32)33)34-27-25(20)36-28(26(30)31)37(27)24-7-3-5-11-42-24;1-36(32,33)18-12-14(17-6-2-4-10-34-17)8-9-15(18)28-16-13-19(25)29-23-21(16)30-24(22(26)27)31(23)20-7-3-5-11-35-20;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;4*1-17(14,15)12-8-9(5-6-10(12)13)11-4-2-3-7-16-11;5-4(6)1-2(4)3(7)8/h8-9,12-13,18,22,24,26H,2-7,10-11,14-15H2,1H3,(H,34,35);8-9,12-13,17,20,22H,2-7,10-11H2,1H3,(H,28,29);5,8,10H,1-4H2;4*5-6,8,11H,2-4,7,13H2,1H3;2H,1H2,(H2,7,8)/t18?,22-,24?;17-,20?;;3*11-;;/m00.100../s1.
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline?
5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline has a molecular weight of 2630.26 g/mol, XLogP of 24.49, 26 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(2S)-oxan-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)-oxan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-2-yl)aniline;bis(2-methylsulfonyl-4-[(2S)-oxan-2-yl]aniline);2-methylsulfonyl-4-[(2R)-oxan-2-yl]aniline is sourced from PubChem (CID 158359410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).