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

C79H77ClF12N18O11S3 — CID 159086205

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

5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (PubChem CID 159086205) has the molecular formula C79H77ClF12N18O11S3 and a molecular weight of 1814.23 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
• PubChem CID: 159086205
• Molecular Formula: C79H77ClF12N18O11S3
• Molecular Weight: 1814.23 g/mol
• Exact Mass: 1812.47
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
• SMILES: Cn1cncc1-c1ccc(Nc2cc(CC(=O)C3CC3(F)F)nc3c2N=C(C(F)F)C3)c(S(C)(=O)=O)c1.Cn1cncc1-c1ccc(Nc2cc(CC(=O)C3CC3(F)F)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.Cn1cncc1-c1ccc(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C28H28F4N6O4S.C24H21F4N5O3S.C23H23ClF2N6O3S.C4H5F2NO/c1-37-14-33-13-20(37)15-6-7-18(22(9-15)43(2,40)41)35-19-10-16(11-21(39)17-12-28(17,31)32)34-26-24(19)36-27(25(29)30)38(26)23-5-3-4-8-42-23;1-33-11-29-10-19(33)12-3-4-15(21(5-12)37(2,35)36)31-16-6-13(7-20(34)14-9-24(14,27)28)30-17-8-18(23(25)26)32-22(16)17;1-31-12-27-11-16(31)13-6-7-14(17(9-13)36(2,33)34)28-15-10-18(24)29-22-20(15)30-23(21(25)26)32(22)19-5-3-4-8-35-19;5-4(6)1-2(4)3(7)8/h6-7,9-10,13-14,17,23,25H,3-5,8,11-12H2,1-2H3,(H,34,35);3-6,10-11,14,23H,7-9H2,1-2H3,(H,30,31);6-7,9-12,19,21H,3-5,8H2,1-2H3,(H,28,29);2H,1H2,(H2,7,8)
• InChIKey: KBLZFDNXFNZRCI-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 374.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1814.23
LogP ≤ 5	15.07
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-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (CID 159086205) is 5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.

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

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is Cn1cncc1-c1ccc(Nc2cc(CC(=O)C3CC3(F)F)nc3c2N=C(C(F)F)C3)c(S(C)(=O)=O)c1.Cn1cncc1-c1ccc(Nc2cc(CC(=O)C3CC3(F)F)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.Cn1cncc1-c1ccc(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.NC(=O)C1CC1(F)F.

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

The InChIKey is KBLZFDNXFNZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N6O4S.C24H21F4N5O3S.C23H23ClF2N6O3S.C4H5F2NO/c1-37-14-33-13-20(37)15-6-7-18(22(9-15)43(2,40)41)35-19-10-16(11-21(39)17-12-28(17,31)32)34-26-24(19)36-27(25(29)30)38(26)23-5-3-4-8-42-23;1-33-11-29-10-19(33)12-3-4-15(21(5-12)37(2,35)36)31-16-6-13(7-20(34)14-9-24(14,27)28)30-17-8-18(23(25)26)32-22(16)17;1-31-12-27-11-16(31)13-6-7-14(17(9-13)36(2,33)34)28-15-10-18(24)29-22-20(15)30-23(21(25)26)32(22)19-5-3-4-8-35-19;5-4(6)1-2(4)3(7)8/h6-7,9-10,13-14,17,23,25H,3-5,8,11-12H2,1-2H3,(H,34,35);3-6,10-11,14,23H,7-9H2,1-2H3,(H,30,31);6-7,9-12,19,21H,3-5,8H2,1-2H3,(H,28,29);2H,1H2,(H2,7,8).

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

5-chloro-2-(difluoromethyl)-N-[4-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone has a molecular weight of 1814.23 g/mol, XLogP of 15.07, 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-(3-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-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-(2,2-difluorocyclopropyl)-2-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 159086205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).