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

C142H168Cl3F14N19O27S7 — CID 158319536

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

5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline (PubChem CID 158319536) has the molecular formula C142H168Cl3F14N19O27S7 and a molecular weight of 3169.81 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline
• PubChem CID: 158319536
• Molecular Formula: C142H168Cl3F14N19O27S7
• Molecular Weight: 3169.81 g/mol
• Exact Mass: 3165.92
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline
• SMILES: CS(=O)(=O)c1cc(C2CCCOC2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1N=C(C(F)F)C2.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@H]2CCCOC2)ccc1N.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C29H32F4N4O5S.C25H25F4N3O4S.C24H27ClF2N4O4S.C12H11Cl2F2N3O.4C12H17NO3S.C4H5F2NO/c1-43(39,40)23-11-16(17-5-4-9-41-15-17)7-8-20(23)35-21-12-18(13-22(38)19-14-29(19,32)33)34-27-25(21)36-28(26(30)31)37(27)24-6-2-3-10-42-24;1-37(34,35)22-7-13(14-3-2-6-36-12-14)4-5-17(22)31-18-8-15(9-21(33)16-11-25(16,28)29)30-19-10-20(24(26)27)32-23(18)19;1-36(32,33)18-11-14(15-5-4-9-34-13-15)7-8-16(18)28-17-12-19(25)29-23-21(17)30-24(22(26)27)31(23)20-6-2-3-10-35-20;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)12-7-9(4-5-11(12)13)10-3-2-6-16-8-10;5-4(6)1-2(4)3(7)8/h7-8,11-12,17,19,24,26H,2-6,9-10,13-15H2,1H3,(H,34,35);4-5,7-8,14,16,24H,2-3,6,9-12H2,1H3,(H,30,31);7-8,11-12,15,20,22H,2-6,9-10,13H2,1H3,(H,28,29);5,8,10H,1-4H2;4*4-5,7,10H,2-3,6,8,13H2,1H3;2H,1H2,(H2,7,8)/t17-,19?,24?;14-,16?;15-,20?;;3*10-;;/m111.110../s1
• InChIKey: GORCZZLBQIRSHI-LQCSXGCPSA-N
• XLogP: 27.19
• TPSA: 666.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3169.81
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

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-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline (CID 158319536) is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline is CS(=O)(=O)c1cc(C2CCCOC2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1N.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1N=C(C(F)F)C2.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1Nc1cc(CC(=O)C2CC2(F)F)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@@H]2CCCOC2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)c1cc([C@H]2CCCOC2)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-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline?

The InChIKey is GORCZZLBQIRSHI-LQCSXGCPSA-N. The full InChI is InChI=1S/C29H32F4N4O5S.C25H25F4N3O4S.C24H27ClF2N4O4S.C12H11Cl2F2N3O.4C12H17NO3S.C4H5F2NO/c1-43(39,40)23-11-16(17-5-4-9-41-15-17)7-8-20(23)35-21-12-18(13-22(38)19-14-29(19,32)33)34-27-25(21)36-28(26(30)31)37(27)24-6-2-3-10-42-24;1-37(34,35)22-7-13(14-3-2-6-36-12-14)4-5-17(22)31-18-8-15(9-21(33)16-11-25(16,28)29)30-19-10-20(24(26)27)32-23(18)19;1-36(32,33)18-11-14(15-5-4-9-34-13-15)7-8-16(18)28-17-12-19(25)29-23-21(17)30-24(22(26)27)31(23)20-6-2-3-10-35-20;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)12-7-9(4-5-11(12)13)10-3-2-6-16-8-10;5-4(6)1-2(4)3(7)8/h7-8,11-12,17,19,24,26H,2-6,9-10,13-15H2,1H3,(H,34,35);4-5,7-8,14,16,24H,2-3,6,9-12H2,1H3,(H,30,31);7-8,11-12,15,20,22H,2-6,9-10,13H2,1H3,(H,28,29);5,8,10H,1-4H2;4*4-5,7,10H,2-3,6,8,13H2,1H3;2H,1H2,(H2,7,8)/t17-,19?,24?;14-,16?;15-,20?;;3*10-;;/m111.110../s1.

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline?

5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline has a molecular weight of 3169.81 g/mol, XLogP of 27.19, 34 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-[(3S)-oxan-3-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-[(3S)-oxan-3-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-[(3S)-oxan-3-yl]anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methylsulfonyl-4-(oxan-3-yl)aniline;bis(2-methylsulfonyl-4-[(3S)-oxan-3-yl]aniline);2-methylsulfonyl-4-[(3R)-oxan-3-yl]aniline is sourced from PubChem (CID 158319536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).