5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine

C120H131ClF2N20O7S2 — CID 161377186

IUPAC5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
SMILESC=C(N)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cccc(-c2cncnc2C(C)C)c1.CC(C)c1nc[nH]c(=O)c1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1cccc(S(=O)(=O)CC2CC2)c1.CC(C)c1ncccc1-c1ccnc(C2=NCN=N2)c1.CC(C)c1ncccc1-c1cnc(N)c(C(C)(F)F)c1.CC(C)c1ncncc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H21NO2S.C15H17F2N3.C15H15N5.C15H17N3.2C15H16N2O.C14H16N2O2S.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;1-9(2)13-11(5-4-6-19-13)10-7-12(15(3,16)17)14(18)20-8-10;1-10(2)14-12(4-3-6-17-14)11-5-7-16-13(8-11)15-18-9-19-20-15;1-10(2)15-13(5-4-7-18-15)12-6-8-17-14(9-12)11(3)16;1-10(2)15-13(5-4-7-17-15)12-6-8-16-14(9-12)11(3)18;1-10(2)15-14(8-16-9-17-15)13-6-4-5-12(7-13)11(3)18;1-10(2)14-13(8-15-9-16-14)11-5-4-6-12(7-11)19(3,17)18;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;4-9H,1-3H3,(H2,18,20);3-8,10H,9H2,1-2H3;4-10H,3,16H2,1-2H3;2*4-10H,1-3H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16,17)
InChIKeyVRFPLJMKDVQXAJ-UHFFFAOYSA-N
MW2103.08 g/mol
LogP27.47
Rot. Bonds25

About 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine (PubChem CID 161377186) has the molecular formula C120H131ClF2N20O7S2 and a molecular weight of 2103.08 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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
PubChem CID161377186
Molecular FormulaC120H131ClF2N20O7S2
Molecular Weight2103.08 g/mol
Exact Mass2100.96
IUPAC Name5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
SMILESC=C(N)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cccc(-c2cncnc2C(C)C)c1.CC(C)c1nc[nH]c(=O)c1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1cccc(S(=O)(=O)CC2CC2)c1.CC(C)c1ncccc1-c1ccnc(C2=NCN=N2)c1.CC(C)c1ncccc1-c1cnc(N)c(C(C)(F)F)c1.CC(C)c1ncncc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H21NO2S.C15H17F2N3.C15H15N5.C15H17N3.2C15H16N2O.C14H16N2O2S.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;1-9(2)13-11(5-4-6-19-13)10-7-12(15(3,16)17)14(18)20-8-10;1-10(2)14-12(4-3-6-17-14)11-5-7-16-13(8-11)15-18-9-19-20-15;1-10(2)15-13(5-4-7-18-15)12-6-8-17-14(9-12)11(3)16;1-10(2)15-13(5-4-7-17-15)12-6-8-16-14(9-12)11(3)18;1-10(2)15-14(8-16-9-17-15)13-6-4-5-12(7-13)11(3)18;1-10(2)14-13(8-15-9-16-14)11-5-4-6-12(7-11)19(3,17)18;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;4-9H,1-3H3,(H2,18,20);3-8,10H,9H2,1-2H3;4-10H,3,16H2,1-2H3;2*4-10H,1-3H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16,17)
InChIKeyVRFPLJMKDVQXAJ-UHFFFAOYSA-N
XLogP27.47
TPSA404.86 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.08
LogP ≤ 527.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine with MolForge

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Related Compounds

N,N-diethylethanamine;3-(dimethylamino)-2-ethylsulfonyl-1-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-pyridinyl]prop-2-en-1-one;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-pyridinyl]-2-pyrimidin-2-ylpyrimidine;pyrimidine-2-carboximidamide;hydrochloride
CID 159210272
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-phenylpyrimidin-4-amine;bis(N-[5-[2-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide);2,4-difluoro-N-[2-methyl-5-[2-(pyrimidin-2-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N,N-dimethyl-1-[2-methyl-5-[2-(4-methylimidazo[4,5-c]pyridin-1-yl)-4-pyridinyl]-3-pyridinyl]methanesulfonamide;N,N,2-trimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
CID 160164426
2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 160600291
3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;2-methyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 162124149
4-[[3-(tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-5-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine;4-[[4-[[3-(tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-5-methylpyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;2-cyclopropyl-1-[4-[[5-fluoro-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]anilino]pyrimidin-4-yl]methyl]phenyl]ethanone;2-cyclopropyl-1-[4-[[5-methyl-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]anilino]pyrimidin-4-yl]methyl]phenyl]ethanone
CID 157257073
5-chloro-4-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide;2-[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]-5-fluoro-N,N-dimethylbenzenesulfonamide;1-[3-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]propan-2-one;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(3-methylsulfonylphenyl)pyrimidin-2-amine
CID 157901184
2-[4-[[4-[[3-(Tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-5-methylpyrimidin-2-yl]amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone;2-cyclopropyl-1-[4-[[5-fluoro-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]anilino]pyrimidin-4-yl]methyl]phenyl]ethanone;2-cyclopropyl-1-[4-[[5-methyl-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]anilino]pyrimidin-4-yl]methyl]phenyl]ethanone;1-[4-[[5-fluoro-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]anilino]pyrimidin-4-yl]methyl]phenyl]-2-phenylethanone
CID 158071263
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
CID 159846445
azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
CID 161366537
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-[2-chloro-4-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-1-(2,4-difluorophenyl)ethanone;4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine
CID 161657902
3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(4-methylphenyl)-4-propan-2-yl-1H-pyrimidin-6-one;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 161764088
N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]pyridin-2-amine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N,N-dimethyl-1-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanesulfonamide;2-methyl-N-[4-[6-methyl-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
CID 161948831

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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine (CID 161377186) is 5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine is C=C(N)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cccc(-c2cncnc2C(C)C)c1.CC(C)c1nc[nH]c(=O)c1-c1ccc(Cl)cc1.CC(C)c1ncccc1-c1cccc(S(=O)(=O)CC2CC2)c1.CC(C)c1ncccc1-c1ccnc(C2=NCN=N2)c1.CC(C)c1ncccc1-c1cnc(N)c(C(C)(F)F)c1.CC(C)c1ncncc1-c1cccc(S(C)(=O)=O)c1.
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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
The InChIKey is VRFPLJMKDVQXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S.C15H17F2N3.C15H15N5.C15H17N3.2C15H16N2O.C14H16N2O2S.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;1-9(2)13-11(5-4-6-19-13)10-7-12(15(3,16)17)14(18)20-8-10;1-10(2)14-12(4-3-6-17-14)11-5-7-16-13(8-11)15-18-9-19-20-15;1-10(2)15-13(5-4-7-18-15)12-6-8-17-14(9-12)11(3)16;1-10(2)15-13(5-4-7-17-15)12-6-8-16-14(9-12)11(3)18;1-10(2)15-14(8-16-9-17-15)13-6-4-5-12(7-13)11(3)18;1-10(2)14-13(8-15-9-16-14)11-5-4-6-12(7-11)19(3,17)18;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;4-9H,1-3H3,(H2,18,20);3-8,10H,9H2,1-2H3;4-10H,3,16H2,1-2H3;2*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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine has a molecular weight of 2103.08 g/mol, XLogP of 27.47, 25 rotatable bonds, 3 hydrogen bond donors, and 26 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-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine is sourced from PubChem (CID 161377186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).