5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine

C128H136ClF10N39O6 — CID 157425296

IUPAC5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine
SMILESCC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCCC4)c(F)c3F)c2)cn1.COc1ccccc1-c1cnc(N)c(-c2nnnn2-c2ccc(OCCN3CCCCC3)c(C)c2F)c1.Cc1ccc(C)c(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)c1.Nc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F.Nc1ncc(-c2cncnc2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F
InChIInChI=1S/C27H33F2N9O.C27H30FN7O2.C26H27F2N7O.C25H23ClF3N7O.C23H23F2N9O/c1-18(2)8-11-37-17-20(16-32-37)19-14-21(26(30)31-15-19)27-33-34-35-38(27)22-6-7-23(25(29)24(22)28)39-13-12-36-9-4-3-5-10-36;1-18-23(37-15-14-34-12-6-3-7-13-34)11-10-22(25(18)28)35-27(31-32-33-35)21-16-19(17-30-26(21)29)20-8-4-5-9-24(20)36-2;1-16-5-6-17(2)19(13-16)18-14-20(25(29)30-15-18)26-31-32-33-35(26)21-7-8-22(24(28)23(21)27)36-12-11-34-9-3-4-10-34;26-18-13-15(4-5-19(18)27)16-12-17(24(30)31-14-16)25-32-33-34-36(25)20-6-7-21(23(29)22(20)28)37-11-10-35-8-2-1-3-9-35;24-20-18(4-5-19(21(20)25)35-9-8-33-6-2-1-3-7-33)34-23(30-31-32-34)17-10-15(13-29-22(17)26)16-11-27-14-28-12-16/h6-7,14-18H,3-5,8-13H2,1-2H3,(H2,30,31);4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H2,29,30);5-8,13-15H,3-4,9-12H2,1-2H3,(H2,29,30);4-7,12-14H,1-3,8-11H2,(H2,30,31);4-5,10-14H,1-3,6-9H2,(H2,26,29)
InChIKeyBPWRWLBRJPUNJV-UHFFFAOYSA-N
MW2542.20 g/mol
LogP20.81
Rot. Bonds39

About 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine

5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine (PubChem CID 157425296) has the molecular formula C128H136ClF10N39O6 and a molecular weight of 2542.20 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine
PubChem CID157425296
Molecular FormulaC128H136ClF10N39O6
Molecular Weight2542.20 g/mol
Exact Mass2540.11
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine
SMILESCC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCCC4)c(F)c3F)c2)cn1.COc1ccccc1-c1cnc(N)c(-c2nnnn2-c2ccc(OCCN3CCCCC3)c(C)c2F)c1.Cc1ccc(C)c(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)c1.Nc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F.Nc1ncc(-c2cncnc2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F
InChIInChI=1S/C27H33F2N9O.C27H30FN7O2.C26H27F2N7O.C25H23ClF3N7O.C23H23F2N9O/c1-18(2)8-11-37-17-20(16-32-37)19-14-21(26(30)31-15-19)27-33-34-35-38(27)22-6-7-23(25(29)24(22)28)39-13-12-36-9-4-3-5-10-36;1-18-23(37-15-14-34-12-6-3-7-13-34)11-10-22(25(18)28)35-27(31-32-33-35)21-16-19(17-30-26(21)29)20-8-4-5-9-24(20)36-2;1-16-5-6-17(2)19(13-16)18-14-20(25(29)30-15-18)26-31-32-33-35(26)21-7-8-22(24(28)23(21)27)36-12-11-34-9-3-4-10-34;26-18-13-15(4-5-19(18)27)16-12-17(24(30)31-14-16)25-32-33-34-36(25)20-6-7-21(23(29)22(20)28)37-11-10-35-8-2-1-3-9-35;24-20-18(4-5-19(21(20)25)35-9-8-33-6-2-1-3-7-33)34-23(30-31-32-34)17-10-15(13-29-22(17)26)16-11-27-14-28-12-16/h6-7,14-18H,3-5,8-13H2,1-2H3,(H2,30,31);4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H2,29,30);5-8,13-15H,3-4,9-12H2,1-2H3,(H2,29,30);4-7,12-14H,1-3,8-11H2,(H2,30,31);4-5,10-14H,1-3,6-9H2,(H2,26,29)
InChIKeyBPWRWLBRJPUNJV-UHFFFAOYSA-N
XLogP20.81
TPSA527.73 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002542.20
LogP ≤ 520.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Analyze 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine with MolForge

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Related Compounds

2-[[4-(1,1-difluoroethyl)-3-fluorophenyl]methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;bis(2-[(3-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine);2-(pyridin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 158082685
7-[2-(5-Chloro-2,4-difluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-chloro-4-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-methoxy-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158374401
7-[2-(2-Chloro-5-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(4,5-difluoro-2-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158721095
7-[2-(5-Chloro-2,4-difluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-chloro-4-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-methoxy-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 159200569
2-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2,3-dimethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 160230864
7-[2-(5-Chloro-2,4-difluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-chloro-4-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-methoxy-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 160332880
7-[2-(5-Chloro-2,4-difluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-chloro-4-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-methoxy-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 160440094
7-[2-(5-Chloro-2-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(2-chloro-5-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(4,5-difluoro-2-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 161111872
8-(6-Chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(6-chloro-4-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-methyl-2-pyridinyl]morpholine;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-6-methyl-2-pyridinyl]morpholine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 161598602
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-(4-morpholin-4-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-phenyl-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 161759987
7-[2-(5-Chloro-2-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(4,5-difluoro-2-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162004373
CID 163797320
CID 163797320

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine (CID 157425296) is 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine is CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCCC4)c(F)c3F)c2)cn1.COc1ccccc1-c1cnc(N)c(-c2nnnn2-c2ccc(OCCN3CCCCC3)c(C)c2F)c1.Cc1ccc(C)c(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)c1.Nc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F.Nc1ncc(-c2cncnc2)cc1-c1nnnn1-c1ccc(OCCN2CCCCC2)c(F)c1F.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine?
The InChIKey is BPWRWLBRJPUNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N9O.C27H30FN7O2.C26H27F2N7O.C25H23ClF3N7O.C23H23F2N9O/c1-18(2)8-11-37-17-20(16-32-37)19-14-21(26(30)31-15-19)27-33-34-35-38(27)22-6-7-23(25(29)24(22)28)39-13-12-36-9-4-3-5-10-36;1-18-23(37-15-14-34-12-6-3-7-13-34)11-10-22(25(18)28)35-27(31-32-33-35)21-16-19(17-30-26(21)29)20-8-4-5-9-24(20)36-2;1-16-5-6-17(2)19(13-16)18-14-20(25(29)30-15-18)26-31-32-33-35(26)21-7-8-22(24(28)23(21)27)36-12-11-34-9-3-4-10-34;26-18-13-15(4-5-19(18)27)16-12-17(24(30)31-14-16)25-32-33-34-36(25)20-6-7-21(23(29)22(20)28)37-11-10-35-8-2-1-3-9-35;24-20-18(4-5-19(21(20)25)35-9-8-33-6-2-1-3-7-33)34-23(30-31-32-34)17-10-15(13-29-22(17)26)16-11-27-14-28-12-16/h6-7,14-18H,3-5,8-13H2,1-2H3,(H2,30,31);4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H2,29,30);5-8,13-15H,3-4,9-12H2,1-2H3,(H2,29,30);4-7,12-14H,1-3,8-11H2,(H2,30,31);4-5,10-14H,1-3,6-9H2,(H2,26,29).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine?
5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine has a molecular weight of 2542.20 g/mol, XLogP of 20.81, 39 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2,5-dimethylphenyl)pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(2-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 157425296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).