(10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione

C34H37N5O6 — CID 165417880

About (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione

(10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione (PubChem CID 165417880) has the molecular formula C34H37N5O6 and a molecular weight of 611.70 g/mol. Its IUPAC name is (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione.

Molecular Properties

• Compound Name: (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione
• PubChem CID: 165417880
• Molecular Formula: C34H37N5O6
• Molecular Weight: 611.70 g/mol
• Exact Mass: 611.27
• IUPAC Name: (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione
• SMILES: COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnn4cccc(C)c34)CC[C@@H]1NC(=O)CN(C)C(=O)CC2
• InChI: InChI=1S/C34H37N5O6/c1-22-6-5-14-39-33(22)26(18-35-39)34(42)38-15-13-27-30(19-38)44-21-24-7-4-8-25(16-24)45-28-11-9-23(17-29(28)43-3)10-12-32(41)37(2)20-31(40)36-27/h4-9,11,14,16-18,27,30H,10,12-13,15,19-21H2,1-3H3,(H,36,40)/t27-,30-/m0/s1
• InChIKey: WCRWPHAQSNEUKE-FIBWVYCGSA-N
• XLogP: 3.76
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.70
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione?

The IUPAC name of (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione (CID 165417880) is (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione.

What is the SMILES notation for (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione?

The canonical SMILES for (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione is COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnn4cccc(C)c34)CC[C@@H]1NC(=O)CN(C)C(=O)CC2.

What is the InChIKey of (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione?

The InChIKey is WCRWPHAQSNEUKE-FIBWVYCGSA-N. The full InChI is InChI=1S/C34H37N5O6/c1-22-6-5-14-39-33(22)26(18-35-39)34(42)38-15-13-27-30(19-38)44-21-24-7-4-8-25(16-24)45-28-11-9-23(17-29(28)43-3)10-12-32(41)37(2)20-31(40)36-27/h4-9,11,14,16-18,27,30H,10,12-13,15,19-21H2,1-3H3,(H,36,40)/t27-,30-/m0/s1.

What are the key properties of (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione?

(10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione has a molecular weight of 611.70 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,15S)-25-methoxy-19-methyl-12-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3,5,7(28),23,26-hexaene-17,20-dione is sourced from PubChem (CID 165417880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).