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

C117H105ClF2N24O4S2 — CID 161287007

IUPACN-(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
SMILESCCCN1CCN(c2cc(Cc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.CS(=O)c1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1.Cc1cccc(C2=C(c3ccc4nccnc4c3)CC(Cc3cccc(C(N)=O)c3)=N2)n1.Cc1cccc(C2=C(c3ccc4ncnn4c3)N=C(CNc3ccccc3F)C2)n1
InChIInChI=1S/C26H21N5O.C24H29ClN6OS.C23H19FN6.C22H17FN2OS.C22H19N5O/c1-16-4-2-7-23(30-16)25-21(18-8-9-22-24(14-18)29-11-10-28-22)15-20(31-25)13-17-5-3-6-19(12-17)26(27)32;1-4-8-30-9-11-31(12-10-30)21-13-18(27-17(3)28-21)14-22-26-15-20(33-22)24(32)29-23-16(2)6-5-7-19(23)25;1-15-5-4-8-20(28-15)18-11-17(12-25-21-7-3-2-6-19(21)24)29-23(18)16-9-10-22-26-14-27-30(22)13-16;1-27(26)19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)22(25-21)17-10-12-24-13-11-17;1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2-12,14H,13,15H2,1H3,(H2,27,32);5-7,13,15H,4,8-12,14H2,1-3H3,(H,29,32);2-10,13-14,25H,11-12H2,1H3;2-13H,14H2,1H3;2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
InChIKeyVFVUFTPLLNRLAN-UHFFFAOYSA-N
MW2048.87 g/mol
LogP21.60
Rot. Bonds24

About 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

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 (PubChem CID 161287007) has the molecular formula C117H105ClF2N24O4S2 and a molecular weight of 2048.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID161287007
Molecular FormulaC117H105ClF2N24O4S2
Molecular Weight2048.87 g/mol
Exact Mass2046.78
IUPAC NameN-(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
SMILESCCCN1CCN(c2cc(Cc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.CS(=O)c1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1.Cc1cccc(C2=C(c3ccc4nccnc4c3)CC(Cc3cccc(C(N)=O)c3)=N2)n1.Cc1cccc(C2=C(c3ccc4ncnn4c3)N=C(CNc3ccccc3F)C2)n1
InChIInChI=1S/C26H21N5O.C24H29ClN6OS.C23H19FN6.C22H17FN2OS.C22H19N5O/c1-16-4-2-7-23(30-16)25-21(18-8-9-22-24(14-18)29-11-10-28-22)15-20(31-25)13-17-5-3-6-19(12-17)26(27)32;1-4-8-30-9-11-31(12-10-30)21-13-18(27-17(3)28-21)14-22-26-15-20(33-22)24(32)29-23-16(2)6-5-7-19(23)25;1-15-5-4-8-20(28-15)18-11-17(12-25-21-7-3-2-6-19(21)24)29-23(18)16-9-10-22-26-14-27-30(22)13-16;1-27(26)19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)22(25-21)17-10-12-24-13-11-17;1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2-12,14H,13,15H2,1H3,(H2,27,32);5-7,13,15H,4,8-12,14H2,1-3H3,(H,29,32);2-10,13-14,25H,11-12H2,1H3;2-13H,14H2,1H3;2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
InChIKeyVFVUFTPLLNRLAN-UHFFFAOYSA-N
XLogP21.60
TPSA364.85 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.87
LogP ≤ 521.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Related Compounds

3-[(1S)-1-[(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one;3-[(1S)-1-[(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 157098388
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157487129
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-3,4-dimethylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-ylphenyl)methanone;cinnolin-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 157677840
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-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-1H-imidazol-2-yl]methyl]benzamide
CID 158920265
5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide
CID 159656865
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
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;bis(5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide)
CID 160614060
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
6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinazolin-6-yl-1H-1,8-naphthyridin-4-one
CID 161838092
CID 162122270
CID 162122270
1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide
CID 162170705
N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 163502059

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1CCN(c2cc(Cc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.CS(=O)c1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1.Cc1cccc(C2=C(c3ccc4nccnc4c3)CC(Cc3cccc(C(N)=O)c3)=N2)n1.Cc1cccc(C2=C(c3ccc4ncnn4c3)N=C(CNc3ccccc3F)C2)n1.
What is the InChIKey of 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?
The InChIKey is VFVUFTPLLNRLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O.C24H29ClN6OS.C23H19FN6.C22H17FN2OS.C22H19N5O/c1-16-4-2-7-23(30-16)25-21(18-8-9-22-24(14-18)29-11-10-28-22)15-20(31-25)13-17-5-3-6-19(12-17)26(27)32;1-4-8-30-9-11-31(12-10-30)21-13-18(27-17(3)28-21)14-22-26-15-20(33-22)24(32)29-23-16(2)6-5-7-19(23)25;1-15-5-4-8-20(28-15)18-11-17(12-25-21-7-3-2-6-19(21)24)29-23(18)16-9-10-22-26-14-27-30(22)13-16;1-27(26)19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)22(25-21)17-10-12-24-13-11-17;1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2-12,14H,13,15H2,1H3,(H2,27,32);5-7,13,15H,4,8-12,14H2,1-3H3,(H,29,32);2-10,13-14,25H,11-12H2,1H3;2-13H,14H2,1H3;2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28).
What are the key properties of 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?
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 has a molecular weight of 2048.87 g/mol, XLogP of 21.60, 24 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161287007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).