N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C104H115ClF5N31O2 — CID 162251176

IUPACN-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCCC1CN(c2cc(Cc3ccc(F)c(F)c3)nc(-n3nc(C)cc3C)n2)CCO1.CCn1cnc2c(-n3nc(C)cc3C)nc(Nc3ccc(C)c(F)c3)cc21.Cc1cc(C)n(-c2cc(N3CCNC(C(N)=O)C3)nc(Cc3ccc(C)c(F)c3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc3c2ncn3C(C)C)n1.Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)nc3c2ncn3C(C)C)n1
InChIInChI=1S/C22H25F2N5O.C22H26FN7O.C21H23FN6.C20H21FN6.C19H20ClN7/c1-4-18-13-28(7-8-30-18)21-12-17(10-16-5-6-19(23)20(24)11-16)25-22(26-21)29-15(3)9-14(2)27-29;1-13-4-5-16(9-17(13)23)10-19-26-20(29-7-6-25-18(12-29)22(24)31)11-21(27-19)30-15(3)8-14(2)28-30;1-12(2)27-11-23-20-18(27)10-19(24-16-7-6-13(3)17(22)9-16)25-21(20)28-15(5)8-14(4)26-28;1-5-26-11-22-19-17(26)10-18(23-15-7-6-12(2)16(21)9-15)24-20(19)27-14(4)8-13(3)25-27;1-11(2)26-10-21-16-17(26)23-19(22-15-7-5-14(20)6-8-15)24-18(16)27-13(4)9-12(3)25-27/h5-6,9,11-12,18H,4,7-8,10,13H2,1-3H3;4-5,8-9,11,18,25H,6-7,10,12H2,1-3H3,(H2,24,31);6-12H,1-5H3,(H,24,25);6-11H,5H2,1-4H3,(H,23,24);5-11H,1-4H3,(H,22,23,24)
InChIKeyZXZYWMXWBDVLSC-UHFFFAOYSA-N
MW1961.72 g/mol
LogP19.40
Rot. Bonds22

About N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 162251176) has the molecular formula C104H115ClF5N31O2 and a molecular weight of 1961.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID162251176
Molecular FormulaC104H115ClF5N31O2
Molecular Weight1961.72 g/mol
Exact Mass1959.95
IUPAC NameN-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCCC1CN(c2cc(Cc3ccc(F)c(F)c3)nc(-n3nc(C)cc3C)n2)CCO1.CCn1cnc2c(-n3nc(C)cc3C)nc(Nc3ccc(C)c(F)c3)cc21.Cc1cc(C)n(-c2cc(N3CCNC(C(N)=O)C3)nc(Cc3ccc(C)c(F)c3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc3c2ncn3C(C)C)n1.Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)nc3c2ncn3C(C)C)n1
InChIInChI=1S/C22H25F2N5O.C22H26FN7O.C21H23FN6.C20H21FN6.C19H20ClN7/c1-4-18-13-28(7-8-30-18)21-12-17(10-16-5-6-19(23)20(24)11-16)25-22(26-21)29-15(3)9-14(2)27-29;1-13-4-5-16(9-17(13)23)10-19-26-20(29-7-6-25-18(12-29)22(24)31)11-21(27-19)30-15(3)8-14(2)28-30;1-12(2)27-11-23-20-18(27)10-19(24-16-7-6-13(3)17(22)9-16)25-21(20)28-15(5)8-14(4)26-28;1-5-26-11-22-19-17(26)10-18(23-15-7-6-12(2)16(21)9-15)24-20(19)27-14(4)8-13(3)25-27;1-11(2)26-10-21-16-17(26)23-19(22-15-7-5-14(20)6-8-15)24-18(16)27-13(4)9-12(3)25-27/h5-6,9,11-12,18H,4,7-8,10,13H2,1-3H3;4-5,8-9,11,18,25H,6-7,10,12H2,1-3H3,(H2,24,31);6-12H,1-5H3,(H,24,25);6-11H,5H2,1-4H3,(H,23,24);5-11H,1-4H3,(H,22,23,24)
InChIKeyZXZYWMXWBDVLSC-UHFFFAOYSA-N
XLogP19.40
TPSA352.60 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001961.72
LogP ≤ 519.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

2-[[5-Chloro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]-1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[7-(1,1-difluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 157279779
N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
CID 157404048
1-(4-Chlorophenyl)-3-(4,4-difluoropiperidin-1-yl)pyrazolo[5,4-c]pyridine;1-(4-chlorophenyl)-3-piperidin-1-ylpyrazolo[5,4-c]pyridine;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-ol;4-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
CID 159462429
7-(4-Chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 160126638
5-(5-Amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 160661924
7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 157119704
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 157167414
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157240693
N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide;1-(4-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-c]pyridine;4-[[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]methyl]morpholine;N-[[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]methyl]-1-piperidin-4-ylmethanamine;1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 157374975
4-[1-(4-Chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-methylmorpholine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
CID 157470508
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propylpurin-2-amine;N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-prop-2-ynylpurin-2-amine;(2S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluoro-3-methylphenyl)methyl]pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluoro-3-methylphenyl)methyl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluoro-3-methylphenyl)methyl]pyrimidin-4-yl]morpholine-2-carboxamide
CID 157575783
2,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine;9-methyl-6-(4-methylpiperazin-1-yl)purine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine
CID 157608697

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 162251176) is N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is CCC1CN(c2cc(Cc3ccc(F)c(F)c3)nc(-n3nc(C)cc3C)n2)CCO1.CCn1cnc2c(-n3nc(C)cc3C)nc(Nc3ccc(C)c(F)c3)cc21.Cc1cc(C)n(-c2cc(N3CCNC(C(N)=O)C3)nc(Cc3ccc(C)c(F)c3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc3c2ncn3C(C)C)n1.Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)nc3c2ncn3C(C)C)n1.
What is the InChIKey of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is ZXZYWMXWBDVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O.C22H26FN7O.C21H23FN6.C20H21FN6.C19H20ClN7/c1-4-18-13-28(7-8-30-18)21-12-17(10-16-5-6-19(23)20(24)11-16)25-22(26-21)29-15(3)9-14(2)27-29;1-13-4-5-16(9-17(13)23)10-19-26-20(29-7-6-25-18(12-29)22(24)31)11-21(27-19)30-15(3)8-14(2)28-30;1-12(2)27-11-23-20-18(27)10-19(24-16-7-6-13(3)17(22)9-16)25-21(20)28-15(5)8-14(4)26-28;1-5-26-11-22-19-17(26)10-18(23-15-7-6-12(2)16(21)9-15)24-20(19)27-14(4)8-13(3)25-27;1-11(2)26-10-21-16-17(26)23-19(22-15-7-5-14(20)6-8-15)24-18(16)27-13(4)9-12(3)25-27/h5-6,9,11-12,18H,4,7-8,10,13H2,1-3H3;4-5,8-9,11,18,25H,6-7,10,12H2,1-3H3,(H2,24,31);6-12H,1-5H3,(H,24,25);6-11H,5H2,1-4H3,(H,23,24);5-11H,1-4H3,(H,22,23,24).
What are the key properties of N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 1961.72 g/mol, XLogP of 19.40, 22 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propan-2-ylpurin-2-amine;4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-ethylmorpholine;4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-N-(3-fluoro-4-methylphenyl)imidazo[4,5-c]pyridin-6-amine;4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-2-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 162251176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).