tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine

C79H93N11O7 — CID 162075994

About tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine

tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine (PubChem CID 162075994) has the molecular formula C79H93N11O7 and a molecular weight of 1308.68 g/mol. Its IUPAC name is tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine
• PubChem CID: 162075994
• Molecular Formula: C79H93N11O7
• Molecular Weight: 1308.68 g/mol
• Exact Mass: 1307.73
• IUPAC Name: tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine
• SMILES: CCOc1cc(=C2N=c3ccccc3=C2CCN(C)C)[nH]/c1=C\c1[nH]c(C)cc1C.COC1=CC(c2cc3cc(OC)ccc3n2C(=O)OC(C)(C)C)=N/C1=C\c1[nH]c(C)cc1C.Cc1cc(C)c(/C=c2\[nH]c(=C3N=c4ccccc4=C3CCN3CCOCC3)cc2OC(C)C)[nH]1
• InChI: InChI=1S/C28H34N4O2.C26H29N3O4.C25H30N4O/c1-18(2)34-27-17-26(30-25(27)16-24-19(3)15-20(4)29-24)28-22(9-10-32-11-13-33-14-12-32)21-7-5-6-8-23(21)31-28;1-15-10-16(2)27-19(15)13-21-24(32-7)14-20(28-21)23-12-17-11-18(31-6)8-9-22(17)29(23)25(30)33-26(3,4)5;1-6-30-24-15-23(27-22(24)14-21-16(2)13-17(3)26-21)25-19(11-12-29(4)5)18-9-7-8-10-20(18)28-25/h5-8,15-18,29-30H,9-14H2,1-4H3;8-14,27H,1-7H3;7-10,13-15,26-27H,6,11-12H2,1-5H3/b25-16-,28-26?;21-13-;22-14-,25-23?
• InChIKey: YKXFPIXTOXPVNW-UDYXPQIWSA-N
• XLogP: 9.37
• TPSA: 199.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1308.68
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine?

The IUPAC name of tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine (CID 162075994) is tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine.

What is the SMILES notation for tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine?

The canonical SMILES for tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine is CCOc1cc(=C2N=c3ccccc3=C2CCN(C)C)[nH]/c1=C\c1[nH]c(C)cc1C.COC1=CC(c2cc3cc(OC)ccc3n2C(=O)OC(C)(C)C)=N/C1=C\c1[nH]c(C)cc1C.Cc1cc(C)c(/C=c2\[nH]c(=C3N=c4ccccc4=C3CCN3CCOCC3)cc2OC(C)C)[nH]1.

What is the InChIKey of tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine?

The InChIKey is YKXFPIXTOXPVNW-UDYXPQIWSA-N. The full InChI is InChI=1S/C28H34N4O2.C26H29N3O4.C25H30N4O/c1-18(2)34-27-17-26(30-25(27)16-24-19(3)15-20(4)29-24)28-22(9-10-32-11-13-33-14-12-32)21-7-5-6-8-23(21)31-28;1-15-10-16(2)27-19(15)13-21-24(32-7)14-20(28-21)23-12-17-11-18(31-6)8-9-22(17)29(23)25(30)33-26(3,4)5;1-6-30-24-15-23(27-22(24)14-21-16(2)13-17(3)26-21)25-19(11-12-29(4)5)18-9-7-8-10-20(18)28-25/h5-8,15-18,29-30H,9-14H2,1-4H3;8-14,27H,1-7H3;7-10,13-15,26-27H,6,11-12H2,1-5H3/b25-16-,28-26?;21-13-;22-14-,25-23?.

What are the key properties of tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine?

tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine has a molecular weight of 1308.68 g/mol, XLogP of 9.37, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-5-methoxyindole-1-carboxylate;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine;4-[2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-3-yl]ethyl]morpholine is sourced from PubChem (CID 162075994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).