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

C88H98ClN33O8 — CID 158490573

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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine

5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine (PubChem CID 158490573) has the molecular formula C88H98ClN33O8 and a molecular weight of 1781.43 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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine.

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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine
• PubChem CID: 158490573
• Molecular Formula: C88H98ClN33O8
• Molecular Weight: 1781.43 g/mol
• Exact Mass: 1779.80
• 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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine
• SMILES: COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3c(n2)CC(C)=N3)cnc1C(C)(C)OC.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)cnc1C(C)(C)OC.[C-]#[N+]c1nc(N)cnc1C(C)(C)OC
• InChI: InChI=1S/C31H35N11O3.C27H28N10O2.C21H23ClN8O2.C9H12N4O/c1-18-34-25-23(37-22-12-10-11-21(26(22)43-6)28-38-40-41(5)39-28)16-19(36-30(25)42(18)24-13-8-9-14-45-24)15-20-17-33-27(29(32-4)35-20)31(2,3)44-7;1-15-11-20-22(30-15)21(33-19-10-8-9-18(23(19)38-6)25-34-36-37(5)35-25)13-16(31-20)12-17-14-29-24(26(28-4)32-17)27(2,3)39-7;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;1-9(2,14-4)7-8(11-3)13-6(10)5-12-7/h10-12,16-17,24H,8-9,13-15H2,1-3,5-7H3,(H,36,37);8-10,13-14H,11-12H2,1-3,5-7H3,(H,31,33);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);5H,1-2,4H3,(H2,10,13)
• InChIKey: HIQIQNJRFIGVCF-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 443.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.43
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine?

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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine (CID 158490573) 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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine.

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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine?

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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine is COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3c(n2)CC(C)=N3)cnc1C(C)(C)OC.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)cnc1C(C)(C)OC.[C-]#[N+]c1nc(N)cnc1C(C)(C)OC.

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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine?

The InChIKey is HIQIQNJRFIGVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N11O3.C27H28N10O2.C21H23ClN8O2.C9H12N4O/c1-18-34-25-23(37-22-12-10-11-21(26(22)43-6)28-38-40-41(5)39-28)16-19(36-30(25)42(18)24-13-8-9-14-45-24)15-20-17-33-27(29(32-4)35-20)31(2,3)44-7;1-15-11-20-22(30-15)21(33-19-10-8-9-18(23(19)38-6)25-34-36-37(5)35-25)13-16(31-20)12-17-14-29-24(26(28-4)32-17)27(2,3)39-7;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;1-9(2,14-4)7-8(11-3)13-6(10)5-12-7/h10-12,16-17,24H,8-9,13-15H2,1-3,5-7H3,(H,36,37);8-10,13-14H,11-12H2,1-3,5-7H3,(H,31,33);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);5H,1-2,4H3,(H2,10,13).

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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine?

5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 1781.43 g/mol, XLogP of 15.21, 24 rotatable bonds, 4 hydrogen bond donors, and 38 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;6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-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;5-[[6-isocyano-5-(2-methoxypropan-2-yl)pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 158490573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).