sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride

C65H58F3N8NaO3 — CID 159021415

IUPACsodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride
SMILESFc1ccc(-n2ncc3cc(C4(C5CC5)CO4)ccc32)cc1.Nc1ccccc1.O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CC1.OC(CNc1ccccc1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CC1.[H-].[Na+]
InChIInChI=1S/C24H22FN3O.C18H15FN2O.C17H13FN2O.C6H7N.Na.H/c25-20-9-11-22(12-10-20)28-23-13-8-19(14-17(23)15-27-28)24(29,18-6-7-18)16-26-21-4-2-1-3-5-21;19-15-4-6-16(7-5-15)21-17-8-3-14(9-12(17)10-20-21)18(11-22-18)13-1-2-13;18-14-4-6-15(7-5-14)20-16-8-3-12(9-13(16)10-19-20)17(21)11-1-2-11;7-6-4-2-1-3-5-6;;/h1-5,8-15,18,26,29H,6-7,16H2;3-10,13H,1-2,11H2;3-11H,1-2H2;1-5H,7H2;;/q;;;;+1;-1
InChIKeyFBQKUFXIDSSVFJ-UHFFFAOYSA-N
MW1079.22 g/mol
LogP10.82
Rot. Bonds12

About sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride

sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride (PubChem CID 159021415) has the molecular formula C65H58F3N8NaO3 and a molecular weight of 1079.22 g/mol. Its IUPAC name is sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride.

Molecular Properties

Compound Namesodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride
PubChem CID159021415
Molecular FormulaC65H58F3N8NaO3
Molecular Weight1079.22 g/mol
Exact Mass1078.45
IUPAC Namesodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride
SMILESFc1ccc(-n2ncc3cc(C4(C5CC5)CO4)ccc32)cc1.Nc1ccccc1.O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CC1.OC(CNc1ccccc1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CC1.[H-].[Na+]
InChIInChI=1S/C24H22FN3O.C18H15FN2O.C17H13FN2O.C6H7N.Na.H/c25-20-9-11-22(12-10-20)28-23-13-8-19(14-17(23)15-27-28)24(29,18-6-7-18)16-26-21-4-2-1-3-5-21;19-15-4-6-16(7-5-15)21-17-8-3-14(9-12(17)10-20-21)18(11-22-18)13-1-2-13;18-14-4-6-15(7-5-14)20-16-8-3-12(9-13(16)10-19-20)17(21)11-1-2-11;7-6-4-2-1-3-5-6;;/h1-5,8-15,18,26,29H,6-7,16H2;3-10,13H,1-2,11H2;3-11H,1-2H2;1-5H,7H2;;/q;;;;+1;-1
InChIKeyFBQKUFXIDSSVFJ-UHFFFAOYSA-N
XLogP10.82
TPSA141.34 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.22
LogP ≤ 510.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride with MolForge

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Related Compounds

Magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide
CID 159485010
1H-indole;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 159665060
Aniline;3-anilino-1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol;1-(4-fluorophenyl)-5-[2-(trifluoromethyl)oxiran-2-yl]indole
CID 160157437
Azetidine-3-carboxylic acid;4-(5-benzylindazol-2-yl)-3-fluorobenzaldehyde;[4-(5-benzylindazol-2-yl)-3-fluorophenyl]methanol;1-[[4-(5-benzylindazol-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylic acid
CID 157623309
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide;[1-(4-fluorophenyl)indazol-5-yl]-phenylmethanol;methyl (E)-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylprop-2-enoate
CID 159224349
Dimagnesium;benzene;cyclopropane;cyclopropyl-(1-phenylindazol-5-yl)methanone;cyclopropyl-phenyl-(1-phenylindazol-5-yl)methanol;1-phenylindazole-5-carbonitrile;dibromide
CID 159560291
Benzyl 4-(5-benzylindazol-2-yl)-3-fluorobenzoate;ethyl 4-(5-benzylindazol-2-yl)-3-fluorobenzoate
CID 160176769
Methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
CID 160779715
2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
CID 161654158

Frequently Asked Questions

What is the IUPAC name of sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride?
The IUPAC name of sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride (CID 159021415) is sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride.
What is the SMILES notation for sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride?
The canonical SMILES for sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride is Fc1ccc(-n2ncc3cc(C4(C5CC5)CO4)ccc32)cc1.Nc1ccccc1.O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CC1.OC(CNc1ccccc1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CC1.[H-].[Na+].
What is the InChIKey of sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride?
The InChIKey is FBQKUFXIDSSVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O.C18H15FN2O.C17H13FN2O.C6H7N.Na.H/c25-20-9-11-22(12-10-20)28-23-13-8-19(14-17(23)15-27-28)24(29,18-6-7-18)16-26-21-4-2-1-3-5-21;19-15-4-6-16(7-5-15)21-17-8-3-14(9-12(17)10-20-21)18(11-22-18)13-1-2-13;18-14-4-6-15(7-5-14)20-16-8-3-12(9-13(16)10-19-20)17(21)11-1-2-11;7-6-4-2-1-3-5-6;;/h1-5,8-15,18,26,29H,6-7,16H2;3-10,13H,1-2,11H2;3-11H,1-2H2;1-5H,7H2;;/q;;;;+1;-1.
What are the key properties of sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride?
sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride has a molecular weight of 1079.22 g/mol, XLogP of 10.82, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;aniline;2-anilino-1-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;cyclopropyl-[1-(4-fluorophenyl)indazol-5-yl]methanone;5-(2-cyclopropyloxiran-2-yl)-1-(4-fluorophenyl)indazole;hydride is sourced from PubChem (CID 159021415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).