1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one

C91H92ClN33O8 — CID 158360094

About 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one

1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one (PubChem CID 158360094) has the molecular formula C91H92ClN33O8 and a molecular weight of 1811.41 g/mol. Its IUPAC name is 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one
• PubChem CID: 158360094
• Molecular Formula: C91H92ClN33O8
• Molecular Weight: 1811.41 g/mol
• Exact Mass: 1809.75
• IUPAC Name: 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one
• 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)ccc1N1CCCC1=O.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)ccc1N1CCCC1=O.[C-]#[N+]c1nc(N)ccc1N1CCCC1=O
• InChI: InChI=1S/C32H33N11O3.C28H26N10O2.C21H23ClN8O2.C10H10N4O/c1-19-34-28-24(37-23-10-7-9-22(29(23)45-4)30-38-40-41(3)39-30)18-21(36-32(28)43(19)27-12-5-6-16-46-27)17-20-13-14-25(31(33-2)35-20)42-15-8-11-26(42)44;1-16-13-21-25(30-16)22(33-20-8-5-7-19(26(20)40-4)27-34-36-37(3)35-27)15-18(31-21)14-17-10-11-23(28(29-2)32-17)38-12-6-9-24(38)39;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;1-12-10-7(4-5-8(11)13-10)14-6-2-3-9(14)15/h7,9-10,13-14,18,27H,5-6,8,11-12,15-17H2,1,3-4H3,(H,36,37);5,7-8,10-11,15H,6,9,12-14H2,1,3-4H3,(H,31,33);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);4-5H,2-3,6H2,(H2,11,13)
• InChIKey: GTJBCOIVWVPEAO-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 438.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1811.41
LogP ≤ 5	14.76
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 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?

The IUPAC name of 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one (CID 158360094) is 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one.

What is the SMILES notation for 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?

The canonical SMILES for 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one 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)ccc1N1CCCC1=O.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)ccc1N1CCCC1=O.[C-]#[N+]c1nc(N)ccc1N1CCCC1=O.

What is the InChIKey of 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?

The InChIKey is GTJBCOIVWVPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N11O3.C28H26N10O2.C21H23ClN8O2.C10H10N4O/c1-19-34-28-24(37-23-10-7-9-22(29(23)45-4)30-38-40-41(3)39-30)18-21(36-32(28)43(19)27-12-5-6-16-46-27)17-20-13-14-25(31(33-2)35-20)42-15-8-11-26(42)44;1-16-13-21-25(30-16)22(33-20-8-5-7-19(26(20)40-4)27-34-36-37(3)35-27)15-18(31-21)14-17-10-11-23(28(29-2)32-17)38-12-6-9-24(38)39;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;1-12-10-7(4-5-8(11)13-10)14-6-2-3-9(14)15/h7,9-10,13-14,18,27H,5-6,8,11-12,15-17H2,1,3-4H3,(H,36,37);5,7-8,10-11,15H,6,9,12-14H2,1,3-4H3,(H,31,33);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);4-5H,2-3,6H2,(H2,11,13).

What are the key properties of 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?

1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 1811.41 g/mol, XLogP of 14.76, 21 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-2-isocyano-3-pyridinyl)pyrrolidin-2-one;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one;1-[2-isocyano-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]methyl]-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 158360094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).