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

C30H27N5O2 — CID 10184859

IUPAC3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H27N5O2/c1-33(2)17-10-18-35-25-16-9-7-14-22(25)28(32-35)27-26(29(36)31-30(27)37)23-19-34(20-11-4-3-5-12-20)24-15-8-6-13-21(23)24/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,31,36,37)
InChIKeyJXDMRMYIFDKNHE-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.50
Rot. Bonds7

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

3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10184859) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione
PubChem CID10184859
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H27N5O2/c1-33(2)17-10-18-35-25-16-9-7-14-22(25)28(32-35)27-26(29(36)31-30(27)37)23-19-34(20-11-4-3-5-12-20)24-15-8-6-13-21(23)24/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,31,36,37)
InChIKeyJXDMRMYIFDKNHE-UHFFFAOYSA-N
XLogP4.50
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.50
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
Arcyriarubin A
CID 2399
Ro 31-8830
CID 5084
Ro 31-8425
CID 2404
Bisindolylmaleimide IX
CID 5083
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
Bisindolylmaleimide III
CID 2398

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione (CID 10184859) is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione is CN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is JXDMRMYIFDKNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-33(2)17-10-18-35-25-16-9-7-14-22(25)28(32-35)27-26(29(36)31-30(27)37)23-19-34(20-11-4-3-5-12-20)24-15-8-6-13-21(23)24/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,31,36,37).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 489.58 g/mol, XLogP of 4.50, 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-phenylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10184859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).