5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine

C112H109Cl3F8N30O11S4 — CID 159085306

About 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine (PubChem CID 159085306) has the molecular formula C112H109Cl3F8N30O11S4 and a molecular weight of 2437.91 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine
• PubChem CID: 159085306
• Molecular Formula: C112H109Cl3F8N30O11S4
• Molecular Weight: 2437.91 g/mol
• Exact Mass: 2434.67
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine
• SMILES: Cc1c(-c2ccc(N)c(S(C)(=O)=O)c2)cnn1C.Cc1c(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)cnn1C.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C31H30F2N8O3S.C27H23F2N7O2S.C24H25ClF2N6O3S.C12H11Cl2F2N3O.C12H15N3O2S.C6H5N3/c1-18-22(17-35-40(18)3)19-11-12-23(25(14-19)45(4,42)43)38-24-16-21(15-20-8-7-9-26(34-2)36-20)37-30-28(24)39-31(29(32)33)41(30)27-10-5-6-13-44-27;1-15-19(14-31-36(15)3)16-8-9-20(24(10-16)39(4,37)38)34-21-12-18(11-17-6-5-7-25(30-2)33-17)32-22-13-23(27(28)29)35-26(21)22;1-13-15(12-28-32(13)2)14-7-8-16(18(10-14)37(3,34)35)29-17-11-19(25)30-23-21(17)31-24(22(26)27)33(23)20-6-4-5-9-36-20;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-8-10(7-14-15(8)2)9-4-5-11(13)12(6-9)18(3,16)17;1-8-6-4-2-3-5(7)9-6/h7-9,11-12,14,16-17,27,29H,5-6,10,13,15H2,1,3-4H3,(H,37,38);5-10,12,14,27H,11,13H2,1,3-4H3,(H,32,34);7-8,10-12,20,22H,4-6,9H2,1-3H3,(H,29,30);5,8,10H,1-4H2;4-7H,13H2,1-3H3;2-4H,(H2,7,9)
• InChIKey: KBJKKBOTLXIBLD-UHFFFAOYSA-N
• XLogP: 24.38
• TPSA: 492.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2437.91
LogP ≤ 5	24.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine (CID 159085306) is 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine is Cc1c(-c2ccc(N)c(S(C)(=O)=O)c2)cnn1C.Cc1c(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)cnn1C.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine?

The InChIKey is KBJKKBOTLXIBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N8O3S.C27H23F2N7O2S.C24H25ClF2N6O3S.C12H11Cl2F2N3O.C12H15N3O2S.C6H5N3/c1-18-22(17-35-40(18)3)19-11-12-23(25(14-19)45(4,42)43)38-24-16-21(15-20-8-7-9-26(34-2)36-20)37-30-28(24)39-31(29(32)33)41(30)27-10-5-6-13-44-27;1-15-19(14-31-36(15)3)16-8-9-20(24(10-16)39(4,37)38)34-21-12-18(11-17-6-5-7-25(30-2)33-17)32-22-13-23(27(28)29)35-26(21)22;1-13-15(12-28-32(13)2)14-7-8-16(18(10-14)37(3,34)35)29-17-11-19(25)30-23-21(17)31-24(22(26)27)33(23)20-6-4-5-9-36-20;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-8-10(7-14-15(8)2)9-4-5-11(13)12(6-9)18(3,16)17;1-8-6-4-2-3-5(7)9-6/h7-9,11-12,14,16-17,27,29H,5-6,10,13,15H2,1,3-4H3,(H,37,38);5-10,12,14,27H,11,13H2,1,3-4H3,(H,32,34);7-8,10-12,20,22H,4-6,9H2,1-3H3,(H,29,30);5,8,10H,1-4H2;4-7H,13H2,1-3H3;2-4H,(H2,7,9).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine?

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine has a molecular weight of 2437.91 g/mol, XLogP of 24.38, 25 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-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-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine is sourced from PubChem (CID 159085306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).