(3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione

C32H34N6O7 — CID 169418656

About (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione

(3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione (PubChem CID 169418656) has the molecular formula C32H34N6O7 and a molecular weight of 614.66 g/mol. Its IUPAC name is (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione.

Molecular Properties

• Compound Name: (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione
• PubChem CID: 169418656
• Molecular Formula: C32H34N6O7
• Molecular Weight: 614.66 g/mol
• Exact Mass: 614.25
• IUPAC Name: (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione
• SMILES: COc1cc2ccc1CNC(=O)CCc1ccc(c(OC)c1)OCC(=O)N[C@@H]1CN(c3cc(-c4nc(C)no4)ccn3)C[C@H]1O2
• InChI: InChI=1S/C32H34N6O7/c1-19-35-32(45-37-19)21-10-11-33-29(13-21)38-16-24-28(17-38)44-23-7-6-22(26(14-23)41-2)15-34-30(39)9-5-20-4-8-25(27(12-20)42-3)43-18-31(40)36-24/h4,6-8,10-14,24,28H,5,9,15-18H2,1-3H3,(H,34,39)(H,36,40)/t24-,28-/m1/s1
• InChIKey: QUMJUSMWZBTEFS-UFHPHHKVSA-N
• XLogP: 2.85
• TPSA: 150.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.66
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione?

The IUPAC name of (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione (CID 169418656) is (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione.

What is the SMILES notation for (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione?

The canonical SMILES for (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione is COc1cc2ccc1CNC(=O)CCc1ccc(c(OC)c1)OCC(=O)N[C@@H]1CN(c3cc(-c4nc(C)no4)ccn3)C[C@H]1O2.

What is the InChIKey of (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione?

The InChIKey is QUMJUSMWZBTEFS-UFHPHHKVSA-N. The full InChI is InChI=1S/C32H34N6O7/c1-19-35-32(45-37-19)21-10-11-33-29(13-21)38-16-24-28(17-38)44-23-7-6-22(26(14-23)41-2)15-34-30(39)9-5-20-4-8-25(27(12-20)42-3)43-18-31(40)36-24/h4,6-8,10-14,24,28H,5,9,15-18H2,1-3H3,(H,34,39)(H,36,40)/t24-,28-/m1/s1.

What are the key properties of (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione?

(3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione has a molecular weight of 614.66 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,7R)-13,22-dimethoxy-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione is sourced from PubChem (CID 169418656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).