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;methane;2-methylpropan-2-olate;oxolane

C49H64Cl2KN9O7 — CID 161492277

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;methane;2-methylpropan-2-olate;oxolane
SMILESC.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.[K+]
InChIInChI=1S/C26H24ClN5O3.C14H19ClN4O2.C4H8O.C4H9O.CH4.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;1-2-4-5-3-1;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);1-4H2;1-3H3;1H4;/q;;;-1;;+1
InChIKeyWFTQMOXZQPNAPW-UHFFFAOYSA-N
MW1001.11 g/mol
LogP2.46
Rot. Bonds13

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;methane;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;methane;2-methylpropan-2-olate;oxolane (PubChem CID 161492277) has the molecular formula C49H64Cl2KN9O7 and a molecular weight of 1001.11 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;methane;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;methane;2-methylpropan-2-olate;oxolane
PubChem CID161492277
Molecular FormulaC49H64Cl2KN9O7
Molecular Weight1001.11 g/mol
Exact Mass999.39
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;methane;2-methylpropan-2-olate;oxolane
SMILESC.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.[K+]
InChIInChI=1S/C26H24ClN5O3.C14H19ClN4O2.C4H8O.C4H9O.CH4.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;1-2-4-5-3-1;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);1-4H2;1-3H3;1H4;/q;;;-1;;+1
InChIKeyWFTQMOXZQPNAPW-UHFFFAOYSA-N
XLogP2.46
TPSA209.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.11
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', '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;methane;2-methylpropan-2-olate;oxolane with MolForge

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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;methane;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;methane;2-methylpropan-2-olate;oxolane (CID 161492277) 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;methane;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;methane;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;methane;2-methylpropan-2-olate;oxolane is C.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.[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;methane;2-methylpropan-2-olate;oxolane?
The InChIKey is WFTQMOXZQPNAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3.C14H19ClN4O2.C4H8O.C4H9O.CH4.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;1-2-4-5-3-1;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);1-4H2;1-3H3;1H4;/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;methane;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;methane;2-methylpropan-2-olate;oxolane has a molecular weight of 1001.11 g/mol, XLogP of 2.46, 13 rotatable bonds, 4 hydrogen bond donors, and 14 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;methane;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 161492277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).