2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine

C25H30N4O — CID 66750934

IUPAC2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine
SMILESCCOc1cc(=C2N=c3ccccc3=C2CCN(C)C)[nH]c1=Cc1[nH]c(C)cc1C
InChIInChI=1S/C25H30N4O/c1-6-30-24-15-23(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/h7-10,13-15,26-27H,6,11-12H2,1-5H3
InChIKeyREBVQGFGOCSMRB-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.73
Rot. Bonds6

About 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine

2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine (PubChem CID 66750934) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine
PubChem CID66750934
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine
SMILESCCOc1cc(=C2N=c3ccccc3=C2CCN(C)C)[nH]c1=Cc1[nH]c(C)cc1C
InChIInChI=1S/C25H30N4O/c1-6-30-24-15-23(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/h7-10,13-15,26-27H,6,11-12H2,1-5H3
InChIKeyREBVQGFGOCSMRB-UHFFFAOYSA-N
XLogP1.73
TPSA56.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine (CID 66750934) is 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine is CCOc1cc(=C2N=c3ccccc3=C2CCN(C)C)[nH]c1=Cc1[nH]c(C)cc1C.
What is the InChIKey of 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is REBVQGFGOCSMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-6-30-24-15-23(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/h7-10,13-15,26-27H,6,11-12H2,1-5H3.
What are the key properties of 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine?
2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 402.54 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 66750934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).