potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane

C61H74Cl3KN12O9 — CID 158440103

IUPACpotassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane
SMILESC1CCOC1.C=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.CC(C)(C)[O-].CN(C)CC(O)Cn1nc(CC(N)=O)c2cc(Cl)ccc21.CNC(=O)Cc1nn(CC2CO2)c2ccc(Cl)cc12.[K+]
InChIInChI=1S/C26H24ClN5O3.C14H19ClN4O2.C13H14ClN3O2.C4H8O.C4H9O.K/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;1-18(2)7-10(20)8-19-13-4-3-9(15)5-11(13)12(17-19)6-14(16)21;1-15-13(18)5-11-10-4-8(14)2-3-12(10)17(16-11)6-9-7-19-9;1-2-4-5-3-1;1-4(2,3)5;/h4-11,14,16,33H,1,12-13H2,2-3H3,(H,28,34,35);3-5,10,20H,6-8H2,1-2H3,(H2,16,21);2-4,9H,5-7H2,1H3,(H,15,18);1-4H2;1-3H3;/q;;;;-1;+1
InChIKeyHCSGUZOQJWQXLN-UHFFFAOYSA-N
MW1264.79 g/mol
LogP3.20
Rot. Bonds17

About potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane

potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane (PubChem CID 158440103) has the molecular formula C61H74Cl3KN12O9 and a molecular weight of 1264.79 g/mol. Its IUPAC name is potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane.

Molecular Properties

Compound Namepotassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane
PubChem CID158440103
Molecular FormulaC61H74Cl3KN12O9
Molecular Weight1264.79 g/mol
Exact Mass1262.44
IUPAC Namepotassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane
SMILESC1CCOC1.C=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.CC(C)(C)[O-].CN(C)CC(O)Cn1nc(CC(N)=O)c2cc(Cl)ccc21.CNC(=O)Cc1nn(CC2CO2)c2ccc(Cl)cc12.[K+]
InChIInChI=1S/C26H24ClN5O3.C14H19ClN4O2.C13H14ClN3O2.C4H8O.C4H9O.K/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;1-18(2)7-10(20)8-19-13-4-3-9(15)5-11(13)12(17-19)6-14(16)21;1-15-13(18)5-11-10-4-8(14)2-3-12(10)17(16-11)6-9-7-19-9;1-2-4-5-3-1;1-4(2,3)5;/h4-11,14,16,33H,1,12-13H2,2-3H3,(H,28,34,35);3-5,10,20H,6-8H2,1-2H3,(H2,16,21);2-4,9H,5-7H2,1H3,(H,15,18);1-4H2;1-3H3;/q;;;;-1;+1
InChIKeyHCSGUZOQJWQXLN-UHFFFAOYSA-N
XLogP3.20
TPSA268.51 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.79
LogP ≤ 53.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane with MolForge

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Related Compounds

3-(5-Chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione
CID 10117343
3-(5-Chloro-1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione
CID 10185555
3-[5-Chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione
CID 10206625
3-(5-chloro-1-methyl-1H-indol-3-yl)-4-[1-(3-hydroxypropyl)-1H-indazol-3-yl]-1H-pyrrole-2,5-dione
CID 10224909
3-(5-Chloro-1-methylindol-3-yl)-4-[2-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione
CID 17968284
3-(5-Chloro-1-ethylindazol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 17968288
3-(5-Chloro-1-methylindol-3-yl)-4-[1-[3-(3-hydroxypropylamino)propyl]indazol-3-yl]pyrrole-2,5-dione
CID 22591976
3-[5-Chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 22592013
2-[3-[4-(5-chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 44621303
3-(5-Chloro-2-ethylindazol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 69556097
3-(5-Chloro-1-methylindol-3-yl)-4-[1-[2-(2-hydroxyethylamino)oxyethyl]indazol-3-yl]pyrrole-2,5-dione
CID 89122893
3-[3-[4-(5-Chloro-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indazol-1-yl]propyl methanesulfonate;3-(5-chloro-1-methylindol-3-yl)-4-[2-[3-[2-hydroxyethyl(methyl)amino]propylamino]benzenecarboximidoyl]pyrrole-2,5-dione;3-(5-chloro-1-methylindol-3-yl)-4-[2-(3-hydroxypropylamino)benzenecarboximidoyl]pyrrole-2,5-dione;2-(methylamino)ethanol
CID 157838204

Frequently Asked Questions

What is the IUPAC name of potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane?
The IUPAC name of potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane (CID 158440103) is potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane.
What is the SMILES notation for potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane?
The canonical SMILES for potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane is C1CCOC1.C=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.CC(C)(C)[O-].CN(C)CC(O)Cn1nc(CC(N)=O)c2cc(Cl)ccc21.CNC(=O)Cc1nn(CC2CO2)c2ccc(Cl)cc12.[K+].
What is the InChIKey of potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane?
The InChIKey is HCSGUZOQJWQXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3.C14H19ClN4O2.C13H14ClN3O2.C4H8O.C4H9O.K/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;1-18(2)7-10(20)8-19-13-4-3-9(15)5-11(13)12(17-19)6-14(16)21;1-15-13(18)5-11-10-4-8(14)2-3-12(10)17(16-11)6-9-7-19-9;1-2-4-5-3-1;1-4(2,3)5;/h4-11,14,16,33H,1,12-13H2,2-3H3,(H,28,34,35);3-5,10,20H,6-8H2,1-2H3,(H2,16,21);2-4,9H,5-7H2,1H3,(H,15,18);1-4H2;1-3H3;/q;;;;-1;+1.
What are the key properties of potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane?
potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane has a molecular weight of 1264.79 g/mol, XLogP of 3.20, 17 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]acetamide;3-[5-chloro-1-[3-(dimethylamino)-2-hydroxypropyl]indazol-3-yl]-4-(1-ethenylindol-3-yl)pyrrole-2,5-dione;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 158440103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).