5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline

C108H117Cl3N26O14S8 — CID 159327553

About 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline

5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline (PubChem CID 159327553) has the molecular formula C108H117Cl3N26O14S8 and a molecular weight of 2366.19 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline
• PubChem CID: 159327553
• Molecular Formula: C108H117Cl3N26O14S8
• Molecular Weight: 2366.19 g/mol
• Exact Mass: 2362.61
• IUPAC Name: 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline
• SMILES: CC1=Nc2c(Nc3ccc(-c4nc(C)cs4)cc3S(C)(=O)=O)cc(Cc3cc4n(n3)CCOC4)nc2C1.Cc1csc(-c2ccc(N)c(S(C)(=O)=O)c2)n1.Cc1csc(-c2ccc(Nc3cc(Cc4cc5n(n4)CCOC5)nc4c3nc(C)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.Cc1csc(-c2ccc(Nc3cc(Cl)nc4c3nc(C)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Nc1cc2n(n1)CCOC2
• InChI: InChI=1S/C30H33N7O4S2.C26H26N6O3S2.C23H24ClN5O3S2.C12H13Cl2N3O.C11H12N2O2S2.C6H9N3O/c1-18-17-42-30(31-18)20-7-8-24(26(12-20)43(3,38)39)34-25-15-21(13-22-14-23-16-40-11-9-36(23)35-22)33-29-28(25)32-19(2)37(29)27-6-4-5-10-41-27;1-15-8-22-25(27-15)23(12-18(29-22)10-19-11-20-13-35-7-6-32(20)31-19)30-21-5-4-17(9-24(21)37(3,33)34)26-28-16(2)14-36-26;1-13-12-33-23(25-13)15-7-8-16(18(10-15)34(3,30)31)27-17-11-19(24)28-22-21(17)26-14(2)29(22)20-6-4-5-9-32-20;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-7-6-16-11(13-7)8-3-4-9(12)10(5-8)17(2,14)15;7-6-3-5-4-10-2-1-9(5)8-6/h7-8,12,14-15,17,27H,4-6,9-11,13,16H2,1-3H3,(H,33,34);4-5,9,11-12,14H,6-8,10,13H2,1-3H3,(H,29,30);7-8,10-12,20H,4-6,9H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-6H,12H2,1-2H3;3H,1-2,4H2,(H2,7,8)
• InChIKey: LEOBBJFASWRYMS-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 502.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.19
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

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-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline?

The IUPAC name of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline (CID 159327553) is 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline.

What is the SMILES notation for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline?

The canonical SMILES for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline is CC1=Nc2c(Nc3ccc(-c4nc(C)cs4)cc3S(C)(=O)=O)cc(Cc3cc4n(n3)CCOC4)nc2C1.Cc1csc(-c2ccc(N)c(S(C)(=O)=O)c2)n1.Cc1csc(-c2ccc(Nc3cc(Cc4cc5n(n4)CCOC5)nc4c3nc(C)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.Cc1csc(-c2ccc(Nc3cc(Cl)nc4c3nc(C)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Nc1cc2n(n1)CCOC2.

What is the InChIKey of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline?

The InChIKey is LEOBBJFASWRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O4S2.C26H26N6O3S2.C23H24ClN5O3S2.C12H13Cl2N3O.C11H12N2O2S2.C6H9N3O/c1-18-17-42-30(31-18)20-7-8-24(26(12-20)43(3,38)39)34-25-15-21(13-22-14-23-16-40-11-9-36(23)35-22)33-29-28(25)32-19(2)37(29)27-6-4-5-10-41-27;1-15-8-22-25(27-15)23(12-18(29-22)10-19-11-20-13-35-7-6-32(20)31-19)30-21-5-4-17(9-24(21)37(3,33)34)26-28-16(2)14-36-26;1-13-12-33-23(25-13)15-7-8-16(18(10-15)34(3,30)31)27-17-11-19(24)28-22-21(17)26-14(2)29(22)20-6-4-5-9-32-20;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-7-6-16-11(13-7)8-3-4-9(12)10(5-8)17(2,14)15;7-6-3-5-4-10-2-1-9(5)8-6/h7-8,12,14-15,17,27H,4-6,9-11,13,16H2,1-3H3,(H,33,34);4-5,9,11-12,14H,6-8,10,13H2,1-3H3,(H,29,30);7-8,10-12,20H,4-6,9H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-6H,12H2,1-2H3;3H,1-2,4H2,(H2,7,8).

What are the key properties of 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline?

5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline has a molecular weight of 2366.19 g/mol, XLogP of 21.48, 21 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-2-methyl-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 159327553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).