1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C157H177ClN24O27S9 — CID 159975533

IUPAC1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2n1.CCc1nc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2nc1CC.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ccccc12.Cc1cc2ncc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2n1.Cc1ccc2nc(C)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2c1.Cc1nc2ccc(Cl)cc2cc1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1nn(C)c2nc(C(C)C)cc(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12
InChIInChI=1S/C24H30N4O4S.C24H28N4O4S.C24H27N3O3S.C23H23ClN2O4S.C22H26N4O4S2.C21H22N2O4S2.C19H21N5O4S/c1-16(2)21-15-20(23-17(3)26-27(4)24(23)25-21)22(29)10-7-18-5-8-19(9-6-18)33(30,31)28-11-13-32-14-12-28;1-3-20-21(4-2)27-23-15-18(7-10-22(23)26-20)24(29)25-16-17-5-8-19(9-6-17)33(30,31)28-11-13-32-14-12-28;1-17-6-11-23-21(14-17)22(15-18(2)26-23)24(28)25-16-19-7-9-20(10-8-19)31(29,30)27-12-4-3-5-13-27;1-16-21(15-18-14-19(24)5-8-22(18)25-16)23(27)9-4-17-2-6-20(7-3-17)31(28,29)26-10-12-30-13-11-26;1-4-18-24-15(3)19-14(2)20(31-22(19)25-18)21(27)23-13-16-5-7-17(8-6-16)32(28,29)26-9-11-30-12-10-26;1-15-18-4-2-3-5-19(18)28-20(15)21(24)22-14-16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23;1-14-10-18-20-12-16(13-24(18)22-14)19(25)21-11-15-2-4-17(5-3-15)29(26,27)23-6-8-28-9-7-23/h5-6,8-9,15-16H,7,10-14H2,1-4H3;5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,29);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,25,28);2-3,5-8,14-15H,4,9-13H2,1H3;5-8H,4,9-13H2,1-3H3,(H,23,27);2-9H,10-14H2,1H3,(H,22,24);2-5,10,12-13H,6-9,11H2,1H3,(H,21,25)
InChIKeyOFCKCRVJQPXMTD-UHFFFAOYSA-N
MW3156.34 g/mol
LogP20.90
Rot. Bonds41

About 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 159975533) has the molecular formula C157H177ClN24O27S9 and a molecular weight of 3156.34 g/mol. Its IUPAC name is 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID159975533
Molecular FormulaC157H177ClN24O27S9
Molecular Weight3156.34 g/mol
Exact Mass3153.04
IUPAC Name1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2n1.CCc1nc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2nc1CC.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ccccc12.Cc1cc2ncc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2n1.Cc1ccc2nc(C)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2c1.Cc1nc2ccc(Cl)cc2cc1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1nn(C)c2nc(C(C)C)cc(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12
InChIInChI=1S/C24H30N4O4S.C24H28N4O4S.C24H27N3O3S.C23H23ClN2O4S.C22H26N4O4S2.C21H22N2O4S2.C19H21N5O4S/c1-16(2)21-15-20(23-17(3)26-27(4)24(23)25-21)22(29)10-7-18-5-8-19(9-6-18)33(30,31)28-11-13-32-14-12-28;1-3-20-21(4-2)27-23-15-18(7-10-22(23)26-20)24(29)25-16-17-5-8-19(9-6-17)33(30,31)28-11-13-32-14-12-28;1-17-6-11-23-21(14-17)22(15-18(2)26-23)24(28)25-16-19-7-9-20(10-8-19)31(29,30)27-12-4-3-5-13-27;1-16-21(15-18-14-19(24)5-8-22(18)25-16)23(27)9-4-17-2-6-20(7-3-17)31(28,29)26-10-12-30-13-11-26;1-4-18-24-15(3)19-14(2)20(31-22(19)25-18)21(27)23-13-16-5-7-17(8-6-16)32(28,29)26-9-11-30-12-10-26;1-15-18-4-2-3-5-19(18)28-20(15)21(24)22-14-16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23;1-14-10-18-20-12-16(13-24(18)22-14)19(25)21-11-15-2-4-17(5-3-15)29(26,27)23-6-8-28-9-7-23/h5-6,8-9,15-16H,7,10-14H2,1-4H3;5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,29);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,25,28);2-3,5-8,14-15H,4,9-13H2,1H3;5-8H,4,9-13H2,1-3H3,(H,23,27);2-9H,10-14H2,1H3,(H,22,24);2-5,10,12-13H,6-9,11H2,1H3,(H,21,25)
InChIKeyOFCKCRVJQPXMTD-UHFFFAOYSA-N
XLogP20.90
TPSA634.92 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds41
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003156.34
LogP ≤ 520.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

CID 158018693
CID 158018693
CID 159214595
CID 159214595
6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide
CID 159854591
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(7-fluoro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;4-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;1,3,6-trimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;2,4,5-trimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 160403641
1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,7-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 161063415
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3H-pyrrol-2-yl]methyl]aniline;4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-3H-pyrrol-5-yl]pyridine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-3H-pyrrol-2-yl]methyl]benzamide
CID 161287007
3,5-dichloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;2-ethyl-4,5-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-imidazo[1,2-a]pyridin-8-yl-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(1-methylindol-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide;3,4,6-trimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 161822732

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 159975533) is 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2n1.CCc1nc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2nc1CC.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ccccc12.Cc1cc2ncc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2n1.Cc1ccc2nc(C)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2c1.Cc1nc2ccc(Cl)cc2cc1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1nn(C)c2nc(C(C)C)cc(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12.
What is the InChIKey of 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OFCKCRVJQPXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S.C24H28N4O4S.C24H27N3O3S.C23H23ClN2O4S.C22H26N4O4S2.C21H22N2O4S2.C19H21N5O4S/c1-16(2)21-15-20(23-17(3)26-27(4)24(23)25-21)22(29)10-7-18-5-8-19(9-6-18)33(30,31)28-11-13-32-14-12-28;1-3-20-21(4-2)27-23-15-18(7-10-22(23)26-20)24(29)25-16-17-5-8-19(9-6-17)33(30,31)28-11-13-32-14-12-28;1-17-6-11-23-21(14-17)22(15-18(2)26-23)24(28)25-16-19-7-9-20(10-8-19)31(29,30)27-12-4-3-5-13-27;1-16-21(15-18-14-19(24)5-8-22(18)25-16)23(27)9-4-17-2-6-20(7-3-17)31(28,29)26-10-12-30-13-11-26;1-4-18-24-15(3)19-14(2)20(31-22(19)25-18)21(27)23-13-16-5-7-17(8-6-16)32(28,29)26-9-11-30-12-10-26;1-15-18-4-2-3-5-19(18)28-20(15)21(24)22-14-16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23;1-14-10-18-20-12-16(13-24(18)22-14)19(25)21-11-15-2-4-17(5-3-15)29(26,27)23-6-8-28-9-7-23/h5-6,8-9,15-16H,7,10-14H2,1-4H3;5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,29);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,25,28);2-3,5-8,14-15H,4,9-13H2,1H3;5-8H,4,9-13H2,1-3H3,(H,23,27);2-9H,10-14H2,1H3,(H,22,24);2-5,10,12-13H,6-9,11H2,1H3,(H,21,25).
What are the key properties of 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 3156.34 g/mol, XLogP of 20.90, 41 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2,3-diethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide;2,6-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 159975533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).