5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C87H107BCl3F6IN22O9S4 — CID 161479980

About 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 161479980) has the molecular formula C87H107BCl3F6IN22O9S4 and a molecular weight of 2091.29 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 161479980
• Molecular Formula: C87H107BCl3F6IN22O9S4
• Molecular Weight: 2091.29 g/mol
• Exact Mass: 2088.56
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: CSc1cc(-c2cc(C)n(C)n2)ccc1N.CSc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.Cc1cc(-c2ccc(N)c(S(C)(=O)=O)c2)nn1C.Cc1cc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)nn1C.Cc1cc(I)nn1C.Cc1cc(N)nn1C.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C24H25ClF2N6O3S.C13H20BNO2S.C12H11Cl2F2N3O.C12H15N3O2S.C12H15N3S.C5H7IN2.C5H9N3.C4H5F2NO/c1-13-10-16(31-32(13)2)14-7-8-15(18(11-14)37(3,34)35)28-17-12-19(25)29-23-21(17)30-24(22(26)27)33(23)20-6-4-5-9-36-20;1-12(2)13(3,4)17-14(16-12)9-6-7-10(15)11(8-9)18-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-8-6-11(14-15(8)2)9-4-5-10(13)12(7-9)18(3,16)17;1-8-6-11(14-15(8)2)9-4-5-10(13)12(7-9)16-3;2*1-4-3-5(6)7-8(4)2;5-4(6)1-2(4)3(7)8/h7-8,10-12,20,22H,4-6,9H2,1-3H3,(H,28,29);6-8H,15H2,1-5H3;5,8,10H,1-4H2;4-7H,13H2,1-3H3;4-7H,13H2,1-3H3;3H,1-2H3;3H,1-2H3,(H2,6,7);2H,1H2,(H2,7,8)
• InChIKey: WEFOVJICZOKOGY-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 414.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.29
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 161479980) is 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CSc1cc(-c2cc(C)n(C)n2)ccc1N.CSc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.Cc1cc(-c2ccc(N)c(S(C)(=O)=O)c2)nn1C.Cc1cc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)nn1C.Cc1cc(I)nn1C.Cc1cc(N)nn1C.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is WEFOVJICZOKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N6O3S.C13H20BNO2S.C12H11Cl2F2N3O.C12H15N3O2S.C12H15N3S.C5H7IN2.C5H9N3.C4H5F2NO/c1-13-10-16(31-32(13)2)14-7-8-15(18(11-14)37(3,34)35)28-17-12-19(25)29-23-21(17)30-24(22(26)27)33(23)20-6-4-5-9-36-20;1-12(2)13(3,4)17-14(16-12)9-6-7-10(15)11(8-9)18-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-8-6-11(14-15(8)2)9-4-5-10(13)12(7-9)18(3,16)17;1-8-6-11(14-15(8)2)9-4-5-10(13)12(7-9)16-3;2*1-4-3-5(6)7-8(4)2;5-4(6)1-2(4)3(7)8/h7-8,10-12,20,22H,4-6,9H2,1-3H3,(H,28,29);6-8H,15H2,1-5H3;5,8,10H,1-4H2;4-7H,13H2,1-3H3;4-7H,13H2,1-3H3;3H,1-2H3;3H,1-2H3,(H2,6,7);2H,1H2,(H2,7,8).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2091.29 g/mol, XLogP of 18.09, 15 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-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;1,5-dimethylpyrazol-3-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfanylaniline;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;3-iodo-1,5-dimethylpyrazole;2-methylsulfanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 161479980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).