(10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione

C33H36N6O6 — CID 131949675

About (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione

(10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione (PubChem CID 131949675) has the molecular formula C33H36N6O6 and a molecular weight of 612.69 g/mol. Its IUPAC name is (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione.

Molecular Properties

• Compound Name: (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione
• PubChem CID: 131949675
• Molecular Formula: C33H36N6O6
• Molecular Weight: 612.69 g/mol
• Exact Mass: 612.27
• IUPAC Name: (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione
• SMILES: COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnn4ccn(C)c34)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2
• InChI: InChI=1S/C33H36N6O6/c1-36-12-13-39-32(36)25(16-34-39)33(42)37-17-26-29(18-37)44-20-22-4-3-5-24(14-22)45-27-10-6-21(15-28(27)43-2)7-11-31(41)38(23-8-9-23)19-30(40)35-26/h3-6,10,12-16,23,26,29H,7-9,11,17-20H2,1-2H3,(H,35,40)/t26-,29-/m0/s1
• InChIKey: LTMFDBTXCUKPLL-WNJJXGMVSA-N
• XLogP: 2.94
• TPSA: 119.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.69
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

The IUPAC name of (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione (CID 131949675) is (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione.

What is the SMILES notation for (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

The canonical SMILES for (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione is COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnn4ccn(C)c34)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2.

What is the InChIKey of (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

The InChIKey is LTMFDBTXCUKPLL-WNJJXGMVSA-N. The full InChI is InChI=1S/C33H36N6O6/c1-36-12-13-39-32(36)25(16-34-39)33(42)37-17-26-29(18-37)44-20-22-4-3-5-24(14-22)45-27-10-6-21(15-28(27)43-2)7-11-31(41)38(23-8-9-23)19-30(40)35-26/h3-6,10,12-16,23,26,29H,7-9,11,17-20H2,1-2H3,(H,35,40)/t26-,29-/m0/s1.

What are the key properties of (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

(10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione has a molecular weight of 612.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,14S)-18-cyclopropyl-24-methoxy-12-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione is sourced from PubChem (CID 131949675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).