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

C91H101ClN30O8 — CID 157263397

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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine (PubChem CID 157263397) has the molecular formula C91H101ClN30O8 and a molecular weight of 1778.46 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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine
• PubChem CID: 157263397
• Molecular Formula: C91H101ClN30O8
• Molecular Weight: 1778.46 g/mol
• Exact Mass: 1776.81
• 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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)ccc1C(C)(C)OC.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)ccc1C(C)(C)OC.[C-]#[N+]c1nc(N)ccc1C(C)(C)OC
• InChI: InChI=1S/C32H36N10O3.C28H29N9O2.C21H23ClN8O2.C10H13N3O/c1-19-34-27-25(37-24-12-10-11-22(28(24)43-6)29-38-40-41(5)39-29)18-21(36-31(27)42(19)26-13-8-9-16-45-26)17-20-14-15-23(30(33-4)35-20)32(2,3)44-7;1-16-13-22-24(30-16)23(33-21-10-8-9-19(25(21)38-6)26-34-36-37(5)35-26)15-18(31-22)14-17-11-12-20(27(29-4)32-17)28(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;1-10(2,14-4)7-5-6-8(11)13-9(7)12-3/h10-12,14-15,18,26H,8-9,13,16-17H2,1-3,5-7H3,(H,36,37);8-12,15H,13-14H2,1-3,5-7H3,(H,31,33);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);5-6H,1-2,4H3,(H2,11,13)
• InChIKey: AXSLETAZTAADCH-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 405.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1778.46
LogP ≤ 5	17.02
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': '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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine (CID 157263397) 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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)ccc1C(C)(C)OC.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)ccc1C(C)(C)OC.[C-]#[N+]c1nc(N)ccc1C(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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine?

The InChIKey is AXSLETAZTAADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N10O3.C28H29N9O2.C21H23ClN8O2.C10H13N3O/c1-19-34-27-25(37-24-12-10-11-22(28(24)43-6)29-38-40-41(5)39-29)18-21(36-31(27)42(19)26-13-8-9-16-45-26)17-20-14-15-23(30(33-4)35-20)32(2,3)44-7;1-16-13-22-24(30-16)23(33-21-10-8-9-19(25(21)38-6)26-34-36-37(5)35-26)15-18(31-22)14-17-11-12-20(27(29-4)32-17)28(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;1-10(2,14-4)7-5-6-8(11)13-9(7)12-3/h10-12,14-15,18,26H,8-9,13,16-17H2,1-3,5-7H3,(H,36,37);8-12,15H,13-14H2,1-3,5-7H3,(H,31,33);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);5-6H,1-2,4H3,(H2,11,13).

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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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 1778.46 g/mol, XLogP of 17.02, 24 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;6-isocyano-5-(2-methoxypropan-2-yl)pyridin-2-amine;5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]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)-2-pyridinyl]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 157263397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).