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

C30H26ClN5O2 — CID 10142922

IUPAC3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H26ClN5O2/c1-34(2)15-8-16-36-25-12-7-6-11-21(25)28(33-36)27-26(29(37)32-30(27)38)23-18-35(20-9-4-3-5-10-20)24-14-13-19(31)17-22(23)24/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,32,37,38)
InChIKeySTSXYJXSLANTCL-UHFFFAOYSA-N
MW524.02 g/mol
LogP5.15
Rot. Bonds7

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

3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione (PubChem CID 10142922) has the molecular formula C30H26ClN5O2 and a molecular weight of 524.02 g/mol. Its IUPAC name is 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
PubChem CID10142922
Molecular FormulaC30H26ClN5O2
Molecular Weight524.02 g/mol
Exact Mass523.18
IUPAC Name3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H26ClN5O2/c1-34(2)15-8-16-36-25-12-7-6-11-21(25)28(33-36)27-26(29(37)32-30(27)38)23-18-35(20-9-4-3-5-10-20)24-14-13-19(31)17-22(23)24/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,32,37,38)
InChIKeySTSXYJXSLANTCL-UHFFFAOYSA-N
XLogP5.15
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 55.15
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

Bisindolylmaleimide VIII
CID 2403
Ro 31-8830
CID 5084
(S)-3-(8-((Dimethylamino)methyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrol-2,5-dione
CID 127757
(Arylindolyl)maleimide deriv. 13
CID 5327655
3-(1-methyl-1H-indol-3-yl)-4-(1-propyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327657
3-(1-methyl-1H-indol-3-yl)-4-(1-phenyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327658
3-(5-chloro-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327670
3-(6-amino-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327684
3-(1,2-dimethyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327698
3-(2-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327715
3-(3,5-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327721
2-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-maleimide
CID 5327726

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione (CID 10142922) is 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione is CN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
The InChIKey is STSXYJXSLANTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2/c1-34(2)15-8-16-36-25-12-7-6-11-21(25)28(33-36)27-26(29(37)32-30(27)38)23-18-35(20-9-4-3-5-10-20)24-14-13-19(31)17-22(23)24/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,32,37,38).
What are the key properties of 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione?
3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione has a molecular weight of 524.02 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10142922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).