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

C26H24ClN5O3 — CID 10206625

IUPAC3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H24ClN5O3/c1-4-31-14-19(17-7-5-6-8-20(17)31)22-23(26(35)28-25(22)34)24-18-11-15(27)9-10-21(18)32(29-24)13-16(33)12-30(2)3/h4-11,14,16,33H,1,12-13H2,2-3H3,(H,28,34,35)
InChIKeyUHKIRBSTVROWBT-UHFFFAOYSA-N
MW489.96 g/mol
LogP3.23
Rot. Bonds7

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

3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10206625) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
PubChem CID10206625
Molecular FormulaC26H24ClN5O3
Molecular Weight489.96 g/mol
Exact Mass489.16
IUPAC Name3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
SMILESC=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H24ClN5O3/c1-4-31-14-19(17-7-5-6-8-20(17)31)22-23(26(35)28-25(22)34)24-18-11-15(27)9-10-21(18)32(29-24)13-16(33)12-30(2)3/h4-11,14,16,33H,1,12-13H2,2-3H3,(H,28,34,35)
InChIKeyUHKIRBSTVROWBT-UHFFFAOYSA-N
XLogP3.23
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[1-(2-hydroxyethyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327928
(R,S)-3-(5-chloro-1-methyl-1H-indol-3-yl)-4-(3-(2,3-dihydroxypropylamino)phenyl)-1H-pyrrole-2,5-dione
CID 12018155
Maleimide derivative, 4
CID 22592015
3-(6-chloro-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327683
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10163439
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10184859
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-vinyl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10296960
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide
CID 66576296
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576298
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 74220534
3-(5-chloro-1H-indol-3-yl)-4-[3-[2-(methylamino)ethyl]indol-1-yl]pyrrole-2,5-dione
CID 44453395

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione (CID 10206625) is 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione is C=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is UHKIRBSTVROWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c1-4-31-14-19(17-7-5-6-8-20(17)31)22-23(26(35)28-25(22)34)24-18-11-15(27)9-10-21(18)32(29-24)13-16(33)12-30(2)3/h4-11,14,16,33H,1,12-13H2,2-3H3,(H,28,34,35).
What are the key properties of 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione?
3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 489.96 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10206625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).