5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline

C76H82Cl3N31O6 — CID 158526448

About 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline

5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline (PubChem CID 158526448) has the molecular formula C76H82Cl3N31O6 and a molecular weight of 1632.06 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline.

Molecular Properties

• Compound Name: 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline
• PubChem CID: 158526448
• Molecular Formula: C76H82Cl3N31O6
• Molecular Weight: 1632.06 g/mol
• Exact Mass: 1629.61
• IUPAC Name: 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline
• SMILES: COc1c(N)cccc1-c1nnn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)cnc1C.[C-]#[N+]c1nc(N)cnc1C
• InChI: InChI=1S/C28H29N11O2.C21H23ClN8O2.C12H13Cl2N3O.C9H11N5O.C6H6N4/c1-16-26(29-3)32-19(15-30-16)13-18-14-22(24-28(33-18)39(17(2)31-24)23-11-6-7-12-41-23)34-21-10-8-9-20(25(21)40-5)27-35-37-38(4)36-27;1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-12-9(11-13-14)6-4-3-5-7(10)8(6)15-2;1-4-6(8-2)10-5(7)3-9-4/h8-10,14-15,23H,6-7,11-13H2,1-2,4-5H3,(H,33,34);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);6,10H,2-5H2,1H3;3-5H,10H2,1-2H3;3H,1H3,(H2,7,10)
• InChIKey: HMVOKYOWJLTZJE-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 414.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.06
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline?

The IUPAC name of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline (CID 158526448) is 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline.

What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline?

The canonical SMILES for 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline is COc1c(N)cccc1-c1nnn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)cnc1C.[C-]#[N+]c1nc(N)cnc1C.

What is the InChIKey of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline?

The InChIKey is HMVOKYOWJLTZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N11O2.C21H23ClN8O2.C12H13Cl2N3O.C9H11N5O.C6H6N4/c1-16-26(29-3)32-19(15-30-16)13-18-14-22(24-28(33-18)39(17(2)31-24)23-11-6-7-12-41-23)34-21-10-8-9-20(25(21)40-5)27-35-37-38(4)36-27;1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-12-9(11-13-14)6-4-3-5-7(10)8(6)15-2;1-4-6(8-2)10-5(7)3-9-4/h8-10,14-15,23H,6-7,11-13H2,1-2,4-5H3,(H,33,34);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);6,10H,2-5H2,1H3;3-5H,10H2,1-2H3;3H,1H3,(H2,7,10).

What are the key properties of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline?

5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline has a molecular weight of 1632.06 g/mol, XLogP of 13.79, 15 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-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-isocyano-5-methylpyrazin-2-amine;5-[(6-isocyano-5-methylpyrazin-2-yl)methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-methoxy-3-(2-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 158526448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).