(10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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

C32H36N6O6 — CID 165428847

About (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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-(1-methylimidazo[2,1-e]pyrazole-7-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 165428847) has the molecular formula C32H36N6O6 and a molecular weight of 600.68 g/mol. Its IUPAC name is (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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-(1-methylimidazo[2,1-e]pyrazole-7-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: 165428847
• Molecular Formula: C32H36N6O6
• Molecular Weight: 600.68 g/mol
• Exact Mass: 600.27
• IUPAC Name: (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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)c3cnn4ccn(C)c34)CC[C@@H]1NC(=O)CN(C)C(=O)CC2
• InChI: InChI=1S/C32H36N6O6/c1-35-13-14-38-31(35)24(17-33-38)32(41)37-12-11-25-28(18-37)43-20-22-5-4-6-23(15-22)44-26-9-7-21(16-27(26)42-3)8-10-30(40)36(2)19-29(39)34-25/h4-7,9,13-17,25,28H,8,10-12,18-20H2,1-3H3,(H,34,39)/t25-,28-/m0/s1
• InChIKey: BFYXRLCYIGROBF-LSYYVWMOSA-N
• XLogP: 2.79
• TPSA: 119.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.68
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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-(1-methylimidazo[2,1-e]pyrazole-7-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 165428847) is (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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-(1-methylimidazo[2,1-e]pyrazole-7-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-(1-methylimidazo[2,1-e]pyrazole-7-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)c3cnn4ccn(C)c34)CC[C@@H]1NC(=O)CN(C)C(=O)CC2.

What is the InChIKey of (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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 BFYXRLCYIGROBF-LSYYVWMOSA-N. The full InChI is InChI=1S/C32H36N6O6/c1-35-13-14-38-31(35)24(17-33-38)32(41)37-12-11-25-28(18-37)43-20-22-5-4-6-23(15-22)44-26-9-7-21(16-27(26)42-3)8-10-30(40)36(2)19-29(39)34-25/h4-7,9,13-17,25,28H,8,10-12,18-20H2,1-3H3,(H,34,39)/t25-,28-/m0/s1.

What are the key properties of (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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-(1-methylimidazo[2,1-e]pyrazole-7-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 600.68 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,15S)-25-methoxy-19-methyl-12-(1-methylimidazo[2,1-e]pyrazole-7-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 165428847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).