6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium

C100H98Cl2F12IN13O7UV — CID 159115267

IUPAC6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium
SMILESC.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(C2CC3(CNC3)C2)cc1.N#Cc1ccc(I)cc1.NCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.[H][3H].[U].[V]
InChIInChI=1S/C30H28ClF3N4O2.C20H17F3N2O.C20H21F3N2O.C13H14F3NO.C9H8ClN3O2.C7H4IN.CH4.U.V.H2/c1-2-25-27(38-16-22(31)15-35-28(38)36-25)26(39)12-5-19-3-8-23(9-4-19)37-17-29(18-37)13-21(14-29)20-6-10-24(11-7-20)40-30(32,33)34;1-24-16-4-6-17(7-5-16)25-12-19(13-25)10-15(11-19)14-2-8-18(9-3-14)26-20(21,22)23;21-20(22,23)26-18-7-3-15(4-8-18)16-9-19(10-16)12-25(13-19)17-5-1-14(11-24)2-6-17;14-13(15,16)18-11-3-1-9(2-4-11)10-5-12(6-10)7-17-8-12;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;8-7-3-1-6(5-9)2-4-7;;;;/h3-4,6-11,15-16,21H,2,5,12-14,17-18H2,1H3;2-9,15H,10-13H2;1-8,16H,9-13,24H2;1-4,10,17H,5-8H2;3-4H,2H2,1H3,(H,14,15);1-4H;1H4;;;1H/i;;;;;;;;;1+2
InChIKeyKEZRPFJNPNAUMU-JYHSBYLBSA-N
MW2310.74 g/mol
LogP24.73
Rot. Bonds19

About 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium

6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium (PubChem CID 159115267) has the molecular formula C100H98Cl2F12IN13O7UV and a molecular weight of 2310.74 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium.

Molecular Properties

Compound Name6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium
PubChem CID159115267
Molecular FormulaC100H98Cl2F12IN13O7UV
Molecular Weight2310.74 g/mol
Exact Mass2308.60
IUPAC Name6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium
SMILESC.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(C2CC3(CNC3)C2)cc1.N#Cc1ccc(I)cc1.NCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.[H][3H].[U].[V]
InChIInChI=1S/C30H28ClF3N4O2.C20H17F3N2O.C20H21F3N2O.C13H14F3NO.C9H8ClN3O2.C7H4IN.CH4.U.V.H2/c1-2-25-27(38-16-22(31)15-35-28(38)36-25)26(39)12-5-19-3-8-23(9-4-19)37-17-29(18-37)13-21(14-29)20-6-10-24(11-7-20)40-30(32,33)34;1-24-16-4-6-17(7-5-16)25-12-19(13-25)10-15(11-19)14-2-8-18(9-3-14)26-20(21,22)23;21-20(22,23)26-18-7-3-15(4-8-18)16-9-19(10-16)12-25(13-19)17-5-1-14(11-24)2-6-17;14-13(15,16)18-11-3-1-9(2-4-11)10-5-12(6-10)7-17-8-12;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;8-7-3-1-6(5-9)2-4-7;;;;/h3-4,6-11,15-16,21H,2,5,12-14,17-18H2,1H3;2-9,15H,10-13H2;1-8,16H,9-13,24H2;1-4,10,17H,5-8H2;3-4H,2H2,1H3,(H,14,15);1-4H;1H4;;;1H/i;;;;;;;;;1+2
InChIKeyKEZRPFJNPNAUMU-JYHSBYLBSA-N
XLogP24.73
TPSA227.59 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002310.74
LogP ≤ 524.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;2-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]quinoline-6-carbonitrile;[2-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]quinolin-6-yl]methanamine
CID 157754807
Tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide
CID 158054499
tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide
CID 158177607
6-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;4-iodobenzonitrile;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;methane;phosphane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrate
CID 158449813
6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
CID 158971569
6-Chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium
CID 159834608
6-Chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[2-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]quinolin-6-yl]propan-1-one;[2-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]quinolin-6-yl]methanamine
CID 160350285
6-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
CID 161153319
6-Chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;4-iodobenzonitrile;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;methane;phosphane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrate
CID 161193472
Tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide
CID 161350207
6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;4-iodobenzonitrile;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;methane;phosphane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrate
CID 162246127
6-Chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;4-iodobenzonitrile;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;methane;phosphane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrate
CID 163776318

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium?
The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium (CID 159115267) is 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium.
What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium?
The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium is C.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(C2CC3(CNC3)C2)cc1.N#Cc1ccc(I)cc1.NCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.[H][3H].[U].[V].
What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium?
The InChIKey is KEZRPFJNPNAUMU-JYHSBYLBSA-N. The full InChI is InChI=1S/C30H28ClF3N4O2.C20H17F3N2O.C20H21F3N2O.C13H14F3NO.C9H8ClN3O2.C7H4IN.CH4.U.V.H2/c1-2-25-27(38-16-22(31)15-35-28(38)36-25)26(39)12-5-19-3-8-23(9-4-19)37-17-29(18-37)13-21(14-29)20-6-10-24(11-7-20)40-30(32,33)34;1-24-16-4-6-17(7-5-16)25-12-19(13-25)10-15(11-19)14-2-8-18(9-3-14)26-20(21,22)23;21-20(22,23)26-18-7-3-15(4-8-18)16-9-19(10-16)12-25(13-19)17-5-1-14(11-24)2-6-17;14-13(15,16)18-11-3-1-9(2-4-11)10-5-12(6-10)7-17-8-12;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;8-7-3-1-6(5-9)2-4-7;;;;/h3-4,6-11,15-16,21H,2,5,12-14,17-18H2,1H3;2-9,15H,10-13H2;1-8,16H,9-13,24H2;1-4,10,17H,5-8H2;3-4H,2H2,1H3,(H,14,15);1-4H;1H4;;;1H/i;;;;;;;;;1+2.
What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium?
6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium has a molecular weight of 2310.74 g/mol, XLogP of 24.73, 19 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium is sourced from PubChem (CID 159115267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).