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

C88H86ClF6N23O8S3 — CID 157292578

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

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine (PubChem CID 157292578) has the molecular formula C88H86ClF6N23O8S3 and a molecular weight of 1839.45 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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine.

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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine
• PubChem CID: 157292578
• Molecular Formula: C88H86ClF6N23O8S3
• Molecular Weight: 1839.45 g/mol
• Exact Mass: 1837.58
• 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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine
• SMILES: Cc1cc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)nn1C.Cc1cccc(N)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cc(C)n(C)n4)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cc(C)n(C)n4)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1
• InChI: InChI=1S/C31H30F2N8O3S.C27H23F2N7O2S.C24H25ClF2N6O3S.C6H8N2/c1-18-14-23(39-40(18)3)19-11-12-22(25(15-19)45(4,42)43)37-24-17-21(16-20-8-7-9-26(34-2)35-20)36-30-28(24)38-31(29(32)33)41(30)27-10-5-6-13-44-27;1-15-10-20(35-36(15)3)16-8-9-19(24(11-16)39(4,37)38)33-21-13-18(12-17-6-5-7-25(30-2)32-17)31-22-14-23(27(28)29)34-26(21)22;1-13-10-16(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;1-5-3-2-4-6(7)8-5/h7-9,11-12,14-15,17,27,29H,5-6,10,13,16H2,1,3-4H3,(H,36,37);5-11,13,27H,12,14H2,1,3-4H3,(H,31,33);7-8,10-12,20,22H,4-6,9H2,1-3H3,(H,28,29);2-4H,1H3,(H2,7,8)
• InChIKey: BAZBHBUKVYYSQI-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 370.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.45
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?

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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine (CID 157292578) 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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine.

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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?

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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine is Cc1cc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)nn1C.Cc1cccc(N)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cc(C)n(C)n4)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cc(C)n(C)n4)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.

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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?

The InChIKey is BAZBHBUKVYYSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N8O3S.C27H23F2N7O2S.C24H25ClF2N6O3S.C6H8N2/c1-18-14-23(39-40(18)3)19-11-12-22(25(15-19)45(4,42)43)37-24-17-21(16-20-8-7-9-26(34-2)35-20)36-30-28(24)38-31(29(32)33)41(30)27-10-5-6-13-44-27;1-15-10-20(35-36(15)3)16-8-9-19(24(11-16)39(4,37)38)33-21-13-18(12-17-6-5-7-25(30-2)32-17)31-22-14-23(27(28)29)34-26(21)22;1-13-10-16(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;1-5-3-2-4-6(7)8-5/h7-9,11-12,14-15,17,27,29H,5-6,10,13,16H2,1,3-4H3,(H,36,37);5-11,13,27H,12,14H2,1,3-4H3,(H,31,33);7-8,10-12,20,22H,4-6,9H2,1-3H3,(H,28,29);2-4H,1H3,(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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine has a molecular weight of 1839.45 g/mol, XLogP of 18.38, 21 rotatable bonds, 4 hydrogen bond donors, and 29 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;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-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-3-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 157292578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).