(10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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

C32H38N4O6 — CID 131899834

About (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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 131899834) has the molecular formula C32H38N4O6 and a molecular weight of 574.68 g/mol. Its IUPAC name is (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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: 131899834
• Molecular Formula: C32H38N4O6
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.28
• IUPAC Name: (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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: COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cccc(C)n3)C[C@@H]1NC(=O)CN(CCCO)C2=O
• InChI: InChI=1S/C32H38N4O6/c1-22-6-3-8-25(33-22)18-35-14-12-28-27(19-35)34-31(38)20-36(13-5-15-37)32(39)24-10-11-29(40-2)30(17-24)42-26-9-4-7-23(16-26)21-41-28/h3-4,6-11,16-17,27-28,37H,5,12-15,18-21H2,1-2H3,(H,34,38)/t27-,28-/m0/s1
• InChIKey: XZPDLMKSUWVKRI-NSOVKSMOSA-N
• XLogP: 3.31
• TPSA: 113.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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 131899834) is (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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 COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cccc(C)n3)C[C@@H]1NC(=O)CN(CCCO)C2=O.

What is the InChIKey of (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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 XZPDLMKSUWVKRI-NSOVKSMOSA-N. The full InChI is InChI=1S/C32H38N4O6/c1-22-6-3-8-25(33-22)18-35-14-12-28-27(19-35)34-31(38)20-36(13-5-15-37)32(39)24-10-11-29(40-2)30(17-24)42-26-9-4-7-23(16-26)21-41-28/h3-4,6-11,16-17,27-28,37H,5,12-15,18-21H2,1-2H3,(H,34,38)/t27-,28-/m0/s1.

What are the key properties of (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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 574.68 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,15S)-19-(3-hydroxypropyl)-24-methoxy-13-[(6-methyl-2-pyridinyl)methyl]-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 131899834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).