5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine

C104H121Cl3N22O11S4 — CID 157138132

About 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine

5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine (PubChem CID 157138132) has the molecular formula C104H121Cl3N22O11S4 and a molecular weight of 2089.88 g/mol. Its IUPAC name is 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine
• PubChem CID: 157138132
• Molecular Formula: C104H121Cl3N22O11S4
• Molecular Weight: 2089.88 g/mol
• Exact Mass: 2086.75
• IUPAC Name: 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine
• SMILES: CC1=Nc2c(Nc3ccc(C4CC4)cc3S(C)(=O)=O)cc(Cc3cnc(C)c(C)n3)nc2C1.CS(=O)(=O)c1cc(C2CC2)ccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CC4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.Cc1ncc(Cc2cc(Nc3ccc(C4CC4)cc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc1C.Cc1ncc(N)nc1C
• InChI: InChI=1S/C29H34N6O3S.C25H27N5O2S.C22H25ClN4O3S.C12H13Cl2N3O.C10H13NO2S.C6H9N3/c1-17-18(2)31-23(16-30-17)14-22-15-25(28-29(33-22)35(19(3)32-28)27-7-5-6-12-38-27)34-24-11-10-21(20-8-9-20)13-26(24)39(4,36)37;1-14-9-22-25(27-14)23(12-19(29-22)11-20-13-26-15(2)16(3)28-20)30-21-8-7-18(17-5-6-17)10-24(21)33(4,31)32;1-13-24-21-17(12-19(23)26-22(21)27(13)20-5-3-4-10-30-20)25-16-9-8-15(14-6-7-14)11-18(16)31(2,28)29;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14(12,13)10-6-8(7-2-3-7)4-5-9(10)11;1-4-5(2)9-6(7)3-8-4/h10-11,13,15-16,20,27H,5-9,12,14H2,1-4H3,(H,33,34);7-8,10,12-13,17H,5-6,9,11H2,1-4H3,(H,29,30);8-9,11-12,14,20H,3-7,10H2,1-2H3,(H,25,26);6,10H,2-5H2,1H3;4-7H,2-3,11H2,1H3;3H,1-2H3,(H2,7,9)
• InChIKey: AJWFYCRPVCUEFZ-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 447.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.88
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

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 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine?

The IUPAC name of 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine (CID 157138132) is 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine.

What is the SMILES notation for 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine?

The canonical SMILES for 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine is CC1=Nc2c(Nc3ccc(C4CC4)cc3S(C)(=O)=O)cc(Cc3cnc(C)c(C)n3)nc2C1.CS(=O)(=O)c1cc(C2CC2)ccc1N.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CC4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.Cc1ncc(Cc2cc(Nc3ccc(C4CC4)cc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc1C.Cc1ncc(N)nc1C.

What is the InChIKey of 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine?

The InChIKey is AJWFYCRPVCUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3S.C25H27N5O2S.C22H25ClN4O3S.C12H13Cl2N3O.C10H13NO2S.C6H9N3/c1-17-18(2)31-23(16-30-17)14-22-15-25(28-29(33-22)35(19(3)32-28)27-7-5-6-12-38-27)34-24-11-10-21(20-8-9-20)13-26(24)39(4,36)37;1-14-9-22-25(27-14)23(12-19(29-22)11-20-13-26-15(2)16(3)28-20)30-21-8-7-18(17-5-6-17)10-24(21)33(4,31)32;1-13-24-21-17(12-19(23)26-22(21)27(13)20-5-3-4-10-30-20)25-16-9-8-15(14-6-7-14)11-18(16)31(2,28)29;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14(12,13)10-6-8(7-2-3-7)4-5-9(10)11;1-4-5(2)9-6(7)3-8-4/h10-11,13,15-16,20,27H,5-9,12,14H2,1-4H3,(H,33,34);7-8,10,12-13,17H,5-6,9,11H2,1-4H3,(H,29,30);8-9,11-12,14,20H,3-7,10H2,1-2H3,(H,25,26);6,10H,2-5H2,1H3;4-7H,2-3,11H2,1H3;3H,1-2H3,(H2,7,9).

What are the key properties of 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine?

5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine has a molecular weight of 2089.88 g/mol, XLogP of 21.30, 21 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;4-cyclopropyl-2-methylsulfonylaniline;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-cyclopropyl-2-methylsulfonylphenyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 157138132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).