(10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione

C33H38N4O6 — CID 131903773

About (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione

(10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione (PubChem CID 131903773) has the molecular formula C33H38N4O6 and a molecular weight of 586.69 g/mol. Its IUPAC name is (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione.

Molecular Properties

• Compound Name: (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
• PubChem CID: 131903773
• Molecular Formula: C33H38N4O6
• Molecular Weight: 586.69 g/mol
• Exact Mass: 586.28
• IUPAC Name: (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
• SMILES: CCN1CC(=O)N[C@H]2CN(C(=O)Cc3cccnc3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O
• InChI: InChI=1S/C33H38N4O6/c1-4-36-20-31(38)35-29-19-37(32(39)14-23-8-6-11-34-18-23)12-10-30(29)41-21-24-7-5-9-26(13-24)43-28-16-25(33(36)40)15-27(17-28)42-22(2)3/h5-9,11,13,15-18,22,29-30H,4,10,12,14,19-21H2,1-3H3,(H,35,38)/t29-,30-/m0/s1
• InChIKey: OEEQLJDULAQMND-KYJUHHDHSA-N
• XLogP: 3.98
• TPSA: 110.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.69
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

The IUPAC name of (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione (CID 131903773) is (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione.

What is the SMILES notation for (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

The canonical SMILES for (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione is CCN1CC(=O)N[C@H]2CN(C(=O)Cc3cccnc3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O.

What is the InChIKey of (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

The InChIKey is OEEQLJDULAQMND-KYJUHHDHSA-N. The full InChI is InChI=1S/C33H38N4O6/c1-4-36-20-31(38)35-29-19-37(32(39)14-23-8-6-11-34-18-23)12-10-30(29)41-21-24-7-5-9-26(13-24)43-28-16-25(33(36)40)15-27(17-28)42-22(2)3/h5-9,11,13,15-18,22,29-30H,4,10,12,14,19-21H2,1-3H3,(H,35,38)/t29-,30-/m0/s1.

What are the key properties of (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

(10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione has a molecular weight of 586.69 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,15S)-19-ethyl-23-propan-2-yloxy-13-(2-pyridin-3-ylacetyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione is sourced from PubChem (CID 131903773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).