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

C82H86ClF12N15O11S6 — CID 157147325

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

5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (PubChem CID 157147325) has the molecular formula C82H86ClF12N15O11S6 and a molecular weight of 1913.51 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
• PubChem CID: 157147325
• Molecular Formula: C82H86ClF12N15O11S6
• Molecular Weight: 1913.51 g/mol
• Exact Mass: 1911.45
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
• SMILES: CC1(C)CSC(c2ccc(Nc3cc(CC(=O)C4CC4(F)F)nc4c3N=C(C(F)F)C4)c(S(C)(=O)=O)c2)=N1.CC1(C)CSC(c2ccc(Nc3cc(CC(=O)C4CC4(F)F)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)=N1.CC1(C)CSC(c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)=N1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C29H31F4N5O4S2.C25H24F4N4O3S2.C24H26ClF2N5O3S2.C4H5F2NO/c1-28(2)14-43-27(37-28)15-7-8-18(21(10-15)44(3,40)41)35-19-11-16(12-20(39)17-13-29(17,32)33)34-25-23(19)36-26(24(30)31)38(25)22-6-4-5-9-42-22;1-24(2)11-37-23(33-24)12-4-5-15(20(6-12)38(3,35)36)31-16-7-13(8-19(34)14-10-25(14,28)29)30-17-9-18(22(26)27)32-21(16)17;1-24(2)12-36-23(31-24)13-7-8-14(16(10-13)37(3,33)34)28-15-11-17(25)29-21-19(15)30-22(20(26)27)32(21)18-6-4-5-9-35-18;5-4(6)1-2(4)3(7)8/h7-8,10-11,17,22,24H,4-6,9,12-14H2,1-3H3,(H,34,35);4-7,14,22H,8-11H2,1-3H3,(H,30,31);7-8,10-11,18,20H,4-6,9,12H2,1-3H3,(H,28,29);2H,1H2,(H2,7,8)
• InChIKey: AKVXHTGPSCHHON-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 357.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.51
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (CID 157147325) is 5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.

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

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is CC1(C)CSC(c2ccc(Nc3cc(CC(=O)C4CC4(F)F)nc4c3N=C(C(F)F)C4)c(S(C)(=O)=O)c2)=N1.CC1(C)CSC(c2ccc(Nc3cc(CC(=O)C4CC4(F)F)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)=N1.CC1(C)CSC(c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)=N1.NC(=O)C1CC1(F)F.

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

The InChIKey is AKVXHTGPSCHHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N5O4S2.C25H24F4N4O3S2.C24H26ClF2N5O3S2.C4H5F2NO/c1-28(2)14-43-27(37-28)15-7-8-18(21(10-15)44(3,40)41)35-19-11-16(12-20(39)17-13-29(17,32)33)34-25-23(19)36-26(24(30)31)38(25)22-6-4-5-9-42-22;1-24(2)11-37-23(33-24)12-4-5-15(20(6-12)38(3,35)36)31-16-7-13(8-19(34)14-10-25(14,28)29)30-17-9-18(22(26)27)32-21(16)17;1-24(2)12-36-23(31-24)13-7-8-14(16(10-13)37(3,33)34)28-15-11-17(25)29-21-19(15)30-22(20(26)27)32(21)18-6-4-5-9-35-18;5-4(6)1-2(4)3(7)8/h7-8,10-11,17,22,24H,4-6,9,12-14H2,1-3H3,(H,34,35);4-7,14,22H,8-11H2,1-3H3,(H,30,31);7-8,10-11,18,20H,4-6,9,12H2,1-3H3,(H,28,29);2H,1H2,(H2,7,8).

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

5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone has a molecular weight of 1913.51 g/mol, XLogP of 17.68, 24 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 157147325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).