5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine

C169H189ClF2N22O10S2 — CID 158289177

IUPAC5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
SMILESCC(C)c1nc[nH]c(=O)c1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1ccc(OC2CC2)cc1.CC(C)c1ncccc1-c1cccc(S(=O)(=O)CC2CC2)c1.CC(C)c1ncccc1-c1ccnc(C(N)=O)c1.CC(C)c1ncccc1-c1ccnc(C2=NCN=N2)c1.CC(C)c1ncncc1-c1cccc(S(C)(=O)=O)c1.CC(F)Oc1ccc(-c2cccnc2C(C)C)cc1.CCOc1ccc(-c2cccnc2C(C)C)cc1.CCc1ccc(-c2cccnc2C(C)C)cn1.CNC(=O)c1cc(-c2cc(C)cnc2C(C)C)ccc1F.Cc1ccc(-c2cncnc2C(C)C)cc1
InChIInChI=1S/C18H21NO2S.C17H19FN2O.C17H19NO.C16H18FNO.C16H19NO.C15H15N5.C15H18N2.C14H15N3O.C14H16N2O2S.C14H16N2.C13H13ClN2O/c1-13(2)18-17(7-4-10-19-18)15-5-3-6-16(11-15)22(20,21)12-14-8-9-14;1-10(2)16-13(7-11(3)9-20-16)12-5-6-15(18)14(8-12)17(21)19-4;1-12(2)17-16(4-3-11-18-17)13-5-7-14(8-6-13)19-15-9-10-15;1-11(2)16-15(5-4-10-18-16)13-6-8-14(9-7-13)19-12(3)17;1-4-18-14-9-7-13(8-10-14)15-6-5-11-17-16(15)12(2)3;1-10(2)14-12(4-3-6-17-14)11-5-7-16-13(8-11)15-18-9-19-20-15;1-4-13-8-7-12(10-17-13)14-6-5-9-16-15(14)11(2)3;1-9(2)13-11(4-3-6-17-13)10-5-7-16-12(8-10)14(15)18;1-10(2)14-13(8-15-9-16-14)11-5-4-6-12(7-11)19(3,17)18;1-10(2)14-13(8-15-9-16-14)12-6-4-11(3)5-7-12;1-8(2)12-11(13(17)16-7-15-12)9-3-5-10(14)6-4-9/h3-7,10-11,13-14H,8-9,12H2,1-2H3;5-10H,1-4H3,(H,19,21);3-8,11-12,15H,9-10H2,1-2H3;4-12H,1-3H3;5-12H,4H2,1-3H3;3-8,10H,9H2,1-2H3;5-11H,4H2,1-3H3;3-9H,1-2H3,(H2,15,18);4-10H,1-3H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16,17)
InChIKeyGLDMAULFJDPHLI-UHFFFAOYSA-N
MW2826.10 g/mol
LogP40.08
Rot. Bonds36

About 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine

5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine (PubChem CID 158289177) has the molecular formula C169H189ClF2N22O10S2 and a molecular weight of 2826.10 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
PubChem CID158289177
Molecular FormulaC169H189ClF2N22O10S2
Molecular Weight2826.10 g/mol
Exact Mass2823.41
IUPAC Name5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
SMILESCC(C)c1nc[nH]c(=O)c1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1ccc(OC2CC2)cc1.CC(C)c1ncccc1-c1cccc(S(=O)(=O)CC2CC2)c1.CC(C)c1ncccc1-c1ccnc(C(N)=O)c1.CC(C)c1ncccc1-c1ccnc(C2=NCN=N2)c1.CC(C)c1ncncc1-c1cccc(S(C)(=O)=O)c1.CC(F)Oc1ccc(-c2cccnc2C(C)C)cc1.CCOc1ccc(-c2cccnc2C(C)C)cc1.CCc1ccc(-c2cccnc2C(C)C)cn1.CNC(=O)c1cc(-c2cc(C)cnc2C(C)C)ccc1F.Cc1ccc(-c2cncnc2C(C)C)cc1
InChIInChI=1S/C18H21NO2S.C17H19FN2O.C17H19NO.C16H18FNO.C16H19NO.C15H15N5.C15H18N2.C14H15N3O.C14H16N2O2S.C14H16N2.C13H13ClN2O/c1-13(2)18-17(7-4-10-19-18)15-5-3-6-16(11-15)22(20,21)12-14-8-9-14;1-10(2)16-13(7-11(3)9-20-16)12-5-6-15(18)14(8-12)17(21)19-4;1-12(2)17-16(4-3-11-18-17)13-5-7-14(8-6-13)19-15-9-10-15;1-11(2)16-15(5-4-10-18-16)13-6-8-14(9-7-13)19-12(3)17;1-4-18-14-9-7-13(8-10-14)15-6-5-11-17-16(15)12(2)3;1-10(2)14-12(4-3-6-17-14)11-5-7-16-13(8-11)15-18-9-19-20-15;1-4-13-8-7-12(10-17-13)14-6-5-9-16-15(14)11(2)3;1-9(2)13-11(4-3-6-17-13)10-5-7-16-12(8-10)14(15)18;1-10(2)14-13(8-15-9-16-14)11-5-4-6-12(7-11)19(3,17)18;1-10(2)14-13(8-15-9-16-14)12-6-4-11(3)5-7-12;1-8(2)12-11(13(17)16-7-15-12)9-3-5-10(14)6-4-9/h3-7,10-11,13-14H,8-9,12H2,1-2H3;5-10H,1-4H3,(H,19,21);3-8,11-12,15H,9-10H2,1-2H3;4-12H,1-3H3;5-12H,4H2,1-3H3;3-8,10H,9H2,1-2H3;5-11H,4H2,1-3H3;3-9H,1-2H3,(H2,15,18);4-10H,1-3H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16,17)
InChIKeyGLDMAULFJDPHLI-UHFFFAOYSA-N
XLogP40.08
TPSA444.34 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002826.10
LogP ≤ 540.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-[4-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide
CID 157426942
5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine
CID 159377920
1-tert-butyl-3-(2,2-dimethylpropylsulfonyl)-5-propan-2-ylbenzene;3-tert-butyl-N,5-di(propan-2-yl)benzamide;2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,3-ditert-butyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene
CID 161940287
1-[2-Chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone
CID 157722317
3,4-dichloro-N-[(2S)-7-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxoheptan-2-yl]benzamide;4-fluoro-N-[(2R)-3-[3-[(1R,2R)-1-methyl-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide;N-[(2S)-5-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]-2-[4-(4-methoxyphenyl)phenyl]acetamide;N-[(2S)-7-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-1-(4-methylpiperazin-1-yl)-1-oxoheptan-2-yl]-4-pyrimidin-2-ylbenzamide
CID 159527878

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine (CID 158289177) is 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine is CC(C)c1nc[nH]c(=O)c1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1ccc(OC2CC2)cc1.CC(C)c1ncccc1-c1cccc(S(=O)(=O)CC2CC2)c1.CC(C)c1ncccc1-c1ccnc(C(N)=O)c1.CC(C)c1ncccc1-c1ccnc(C2=NCN=N2)c1.CC(C)c1ncncc1-c1cccc(S(C)(=O)=O)c1.CC(F)Oc1ccc(-c2cccnc2C(C)C)cc1.CCOc1ccc(-c2cccnc2C(C)C)cc1.CCc1ccc(-c2cccnc2C(C)C)cn1.CNC(=O)c1cc(-c2cc(C)cnc2C(C)C)ccc1F.Cc1ccc(-c2cncnc2C(C)C)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
The InChIKey is GLDMAULFJDPHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S.C17H19FN2O.C17H19NO.C16H18FNO.C16H19NO.C15H15N5.C15H18N2.C14H15N3O.C14H16N2O2S.C14H16N2.C13H13ClN2O/c1-13(2)18-17(7-4-10-19-18)15-5-3-6-16(11-15)22(20,21)12-14-8-9-14;1-10(2)16-13(7-11(3)9-20-16)12-5-6-15(18)14(8-12)17(21)19-4;1-12(2)17-16(4-3-11-18-17)13-5-7-14(8-6-13)19-15-9-10-15;1-11(2)16-15(5-4-10-18-16)13-6-8-14(9-7-13)19-12(3)17;1-4-18-14-9-7-13(8-10-14)15-6-5-11-17-16(15)12(2)3;1-10(2)14-12(4-3-6-17-14)11-5-7-16-13(8-11)15-18-9-19-20-15;1-4-13-8-7-12(10-17-13)14-6-5-9-16-15(14)11(2)3;1-9(2)13-11(4-3-6-17-13)10-5-7-16-12(8-10)14(15)18;1-10(2)14-13(8-15-9-16-14)11-5-4-6-12(7-11)19(3,17)18;1-10(2)14-13(8-15-9-16-14)12-6-4-11(3)5-7-12;1-8(2)12-11(13(17)16-7-15-12)9-3-5-10(14)6-4-9/h3-7,10-11,13-14H,8-9,12H2,1-2H3;5-10H,1-4H3,(H,19,21);3-8,11-12,15H,9-10H2,1-2H3;4-12H,1-3H3;5-12H,4H2,1-3H3;3-8,10H,9H2,1-2H3;5-11H,4H2,1-3H3;3-9H,1-2H3,(H2,15,18);4-10H,1-3H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16,17).
What are the key properties of 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine has a molecular weight of 2826.10 g/mol, XLogP of 40.08, 36 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine is sourced from PubChem (CID 158289177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).