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

C26H24ClN5O2 — CID 10205652

IUPAC3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H24ClN5O2/c1-4-31-15-19(17-8-5-6-9-20(17)31)22-23(26(34)28-25(22)33)24-18-14-16(27)10-11-21(18)32(29-24)13-7-12-30(2)3/h4-6,8-11,14-15H,1,7,12-13H2,2-3H3,(H,28,33,34)
InChIKeyDXLAJPMPYKYJPG-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.26
Rot. Bonds7

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

3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10205652) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
PubChem CID10205652
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H24ClN5O2/c1-4-31-15-19(17-8-5-6-9-20(17)31)22-23(26(34)28-25(22)33)24-18-14-16(27)10-11-21(18)32(29-24)13-7-12-30(2)3/h4-6,8-11,14-15H,1,7,12-13H2,2-3H3,(H,28,33,34)
InChIKeyDXLAJPMPYKYJPG-UHFFFAOYSA-N
XLogP4.26
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione (CID 10205652) is 3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[5-chloro-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)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is DXLAJPMPYKYJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-4-31-15-19(17-8-5-6-9-20(17)31)22-23(26(34)28-25(22)33)24-18-14-16(27)10-11-21(18)32(29-24)13-7-12-30(2)3/h4-6,8-11,14-15H,1,7,12-13H2,2-3H3,(H,28,33,34).
What are the key properties of 3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
3-[5-chloro-1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 473.96 g/mol, XLogP of 4.26, 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-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10205652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).