(10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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

C36H42N4O7 — CID 131912274

About (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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 131912274) has the molecular formula C36H42N4O7 and a molecular weight of 642.75 g/mol. Its IUPAC name is (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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: 131912274
• Molecular Formula: C36H42N4O7
• Molecular Weight: 642.75 g/mol
• Exact Mass: 642.31
• IUPAC Name: (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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: CCn1c(C)cc(C)c(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)c1=O
• InChI: InChI=1S/C36H42N4O7/c1-5-39-23(3)15-22(2)34(36(39)44)35(43)38-18-28-31(19-38)46-21-25-7-6-8-27(16-25)47-29-13-9-24(17-30(29)45-4)10-14-33(42)40(26-11-12-26)20-32(41)37-28/h6-9,13,15-17,26,28,31H,5,10-12,14,18-21H2,1-4H3,(H,37,41)/t28-,31-/m0/s1
• InChIKey: DLFLJAAWVSHWCO-IZEXYCQBSA-N
• XLogP: 3.75
• TPSA: 119.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	642.75
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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 131912274) is (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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 CCn1c(C)cc(C)c(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)c1=O.

What is the InChIKey of (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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 DLFLJAAWVSHWCO-IZEXYCQBSA-N. The full InChI is InChI=1S/C36H42N4O7/c1-5-39-23(3)15-22(2)34(36(39)44)35(43)38-18-28-31(19-38)46-21-25-7-6-8-27(16-25)47-29-13-9-24(17-30(29)45-4)10-14-33(42)40(26-11-12-26)20-32(41)37-28/h6-9,13,15-17,26,28,31H,5,10-12,14,18-21H2,1-4H3,(H,37,41)/t28-,31-/m0/s1.

What are the key properties of (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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 642.75 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,14S)-18-cyclopropyl-12-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-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 131912274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).