5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone

C79H83ClF6N18O11S3 — CID 160714793

About 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone

5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (PubChem CID 160714793) has the molecular formula C79H83ClF6N18O11S3 and a molecular weight of 1706.29 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
• PubChem CID: 160714793
• Molecular Formula: C79H83ClF6N18O11S3
• Molecular Weight: 1706.29 g/mol
• Exact Mass: 1704.52
• IUPAC Name: 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
• SMILES: CC1=Nc2c(Nc3ccc(-c4ccn(C)n4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2C1.Cc1nc2c(Nc3ccc(-c4cn(C)cn4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cn(C)cn4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C28H30F2N6O4S.C24H23F2N5O3S.C23H25ClN6O3S.C4H5F2NO/c1-16-32-26-21(34-20-8-7-17(10-24(20)41(3,38)39)22-14-35(2)15-31-22)11-18(12-23(37)19-13-28(19,29)30)33-27(26)36(16)25-6-4-5-9-40-25;1-13-8-19-23(27-13)20(10-15(28-19)11-21(32)16-12-24(16,25)26)29-18-5-4-14(9-22(18)35(3,33)34)17-6-7-31(2)30-17;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-33-21)27-16-8-7-15(10-19(16)34(3,31)32)18-12-29(2)13-25-18;5-4(6)1-2(4)3(7)8/h7-8,10-11,14-15,19,25H,4-6,9,12-13H2,1-3H3,(H,33,34);4-7,9-10,16H,8,11-12H2,1-3H3,(H,28,29);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);2H,1H2,(H2,7,8)
• InChIKey: RSIGOPIVKZIGKH-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 374.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.29
LogP ≤ 5	13.56
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-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?

The IUPAC name of 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (CID 160714793) is 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.

What is the SMILES notation for 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?

The canonical SMILES for 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is CC1=Nc2c(Nc3ccc(-c4ccn(C)n4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2C1.Cc1nc2c(Nc3ccc(-c4cn(C)cn4)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cn(C)cn4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F.

What is the InChIKey of 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?

The InChIKey is RSIGOPIVKZIGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O4S.C24H23F2N5O3S.C23H25ClN6O3S.C4H5F2NO/c1-16-32-26-21(34-20-8-7-17(10-24(20)41(3,38)39)22-14-35(2)15-31-22)11-18(12-23(37)19-13-28(19,29)30)33-27(26)36(16)25-6-4-5-9-40-25;1-13-8-19-23(27-13)20(10-15(28-19)11-21(32)16-12-24(16,25)26)29-18-5-4-14(9-22(18)35(3,33)34)17-6-7-31(2)30-17;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-33-21)27-16-8-7-15(10-19(16)34(3,31)32)18-12-29(2)13-25-18;5-4(6)1-2(4)3(7)8/h7-8,10-11,14-15,19,25H,4-6,9,12-13H2,1-3H3,(H,33,34);4-7,9-10,16H,8,11-12H2,1-3H3,(H,28,29);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);2H,1H2,(H2,7,8).

What are the key properties of 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?

5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone has a molecular weight of 1706.29 g/mol, XLogP of 13.56, 21 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-N-[4-(1-methylimidazol-4-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-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 160714793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).