3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione

C26H25N5O2 — CID 10296960

IUPAC3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H25N5O2/c1-4-30-16-19(17-10-5-7-12-20(17)30)22-23(26(33)27-25(22)32)24-18-11-6-8-13-21(18)31(28-24)15-9-14-29(2)3/h4-8,10-13,16H,1,9,14-15H2,2-3H3,(H,27,32,33)
InChIKeyIIMMUGRHSXMDBU-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.61
Rot. Bonds7

About 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione

3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10296960) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
PubChem CID10296960
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H25N5O2/c1-4-30-16-19(17-10-5-7-12-20(17)30)22-23(26(33)27-25(22)32)24-18-11-6-8-13-21(18)31(28-24)15-9-14-29(2)3/h4-8,10-13,16H,1,9,14-15H2,2-3H3,(H,27,32,33)
InChIKeyIIMMUGRHSXMDBU-UHFFFAOYSA-N
XLogP3.61
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Enzastaurin
CID 176167
Ruboxistaurin
CID 153999
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Bisindolylmaleimide VIII
CID 2403
Iron oxide, spent
CID 5327711
Bisindolylmaleimide IX
CID 5083
Arcyriarubin A
CID 2399
Ro 31-8830
CID 5084
Ro 31-8425
CID 2404
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
CID 16219401

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione (CID 10296960) is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione is C=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is IIMMUGRHSXMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-4-30-16-19(17-10-5-7-12-20(17)30)22-23(26(33)27-25(22)32)24-18-11-6-8-13-21(18)31(28-24)15-9-14-29(2)3/h4-8,10-13,16H,1,9,14-15H2,2-3H3,(H,27,32,33).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 439.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10296960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).