N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide

C106H121Cl3F6N28O14S4 — CID 161139685

About N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide

N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 161139685) has the molecular formula C106H121Cl3F6N28O14S4 and a molecular weight of 2359.93 g/mol. Its IUPAC name is N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 161139685
• Molecular Formula: C106H121Cl3F6N28O14S4
• Molecular Weight: 2359.93 g/mol
• Exact Mass: 2356.75
• IUPAC Name: N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide
• SMILES: CC1=Nc2c(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2C1.CN(c1cc(-c2cncn2C)ccc1N)S(C)(=O)=O.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C29H33F2N7O4S.C25H26F2N6O3S.C24H28ClN7O3S.C12H13Cl2N3O.C12H16N4O2S.C4H5F2NO/c1-17-33-27-22(35-21-9-8-18(24-15-32-16-36(24)2)11-23(21)37(3)43(4,40)41)12-19(13-25(39)20-14-29(20,30)31)34-28(27)38(17)26-7-5-6-10-42-26;1-14-7-19-24(29-14)20(9-16(30-19)10-23(34)17-11-25(17,26)27)31-18-6-5-15(22-12-28-13-32(22)2)8-21(18)33(3)37(4,35)36;1-15-27-23-18(12-21(25)29-24(23)32(15)22-7-5-6-10-35-22)28-17-9-8-16(20-13-26-14-30(20)2)11-19(17)31(3)36(4,33)34;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-15-8-14-7-12(15)9-4-5-10(13)11(6-9)16(2)19(3,17)18;5-4(6)1-2(4)3(7)8/h8-9,11-12,15-16,20,26H,5-7,10,13-14H2,1-4H3,(H,34,35);5-6,8-9,12-13,17H,7,10-11H2,1-4H3,(H,30,31);8-9,11-14,22H,5-7,10H2,1-4H3,(H,28,29);6,10H,2-5H2,1H3;4-8H,13H2,1-3H3;2H,1H2,(H2,7,8)
• InChIKey: UNGPQJKFUXSNCL-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 505.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2359.93
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide (CID 161139685) is N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide is CC1=Nc2c(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2C1.CN(c1cc(-c2cncn2C)ccc1N)S(C)(=O)=O.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F.

What is the InChIKey of N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The InChIKey is UNGPQJKFUXSNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O4S.C25H26F2N6O3S.C24H28ClN7O3S.C12H13Cl2N3O.C12H16N4O2S.C4H5F2NO/c1-17-33-27-22(35-21-9-8-18(24-15-32-16-36(24)2)11-23(21)37(3)43(4,40)41)12-19(13-25(39)20-14-29(20,30)31)34-28(27)38(17)26-7-5-6-10-42-26;1-14-7-19-24(29-14)20(9-16(30-19)10-23(34)17-11-25(17,26)27)31-18-6-5-15(22-12-28-13-32(22)2)8-21(18)33(3)37(4,35)36;1-15-27-23-18(12-21(25)29-24(23)32(15)22-7-5-6-10-35-22)28-17-9-8-16(20-13-26-14-30(20)2)11-19(17)31(3)36(4,33)34;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-15-8-14-7-12(15)9-4-5-10(13)11(6-9)16(2)19(3,17)18;5-4(6)1-2(4)3(7)8/h8-9,11-12,15-16,20,26H,5-7,10,13-14H2,1-4H3,(H,34,35);5-6,8-9,12-13,17H,7,10-11H2,1-4H3,(H,30,31);8-9,11-14,22H,5-7,10H2,1-4H3,(H,28,29);6,10H,2-5H2,1H3;4-8H,13H2,1-3H3;2H,1H2,(H2,7,8).

What are the key properties of N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 2359.93 g/mol, XLogP of 18.35, 28 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,2-difluorocyclopropane-1-carboxamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 161139685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).