(11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

C24H30N8O6 — CID 137288336

About (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

(11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (PubChem CID 137288336) has the molecular formula C24H30N8O6 and a molecular weight of 526.55 g/mol. Its IUPAC name is (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.

Molecular Properties

• Compound Name: (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
• PubChem CID: 137288336
• Molecular Formula: C24H30N8O6
• Molecular Weight: 526.55 g/mol
• Exact Mass: 526.23
• IUPAC Name: (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
• SMILES: COc1ccc2cc1OCCN(C(=O)c1n[nH]c(=O)[nH]1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
• InChI: InChI=1S/C24H30N8O6/c1-14(2)19-22(34)26-7-9-31-8-6-25-21(31)15-4-5-16(37-3)17(12-15)38-11-10-32(13-18(33)27-19)23(35)20-28-24(36)30-29-20/h4-6,8,12,14,19H,7,9-11,13H2,1-3H3,(H,26,34)(H,27,33)(H2,28,29,30,36)/t19-/m1/s1
• InChIKey: GKEGDUKHGGQCSQ-LJQANCHMSA-N
• XLogP: -0.24
• TPSA: 176.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.55
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?

The IUPAC name of (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (CID 137288336) is (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.

What is the SMILES notation for (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?

The canonical SMILES for (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is COc1ccc2cc1OCCN(C(=O)c1n[nH]c(=O)[nH]1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.

What is the InChIKey of (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?

The InChIKey is GKEGDUKHGGQCSQ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N8O6/c1-14(2)19-22(34)26-7-9-31-8-6-25-21(31)15-4-5-16(37-3)17(12-15)38-11-10-32(13-18(33)27-19)23(35)20-28-24(36)30-29-20/h4-6,8,12,14,19H,7,9-11,13H2,1-3H3,(H,26,34)(H,27,33)(H2,28,29,30,36)/t19-/m1/s1.

What are the key properties of (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?

(11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione has a molecular weight of 526.55 g/mol, XLogP of -0.24, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is sourced from PubChem (CID 137288336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).