N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol

C108H99F14N29O3 — CID 159645869

IUPACN-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol
SMILESCc1nn(CC[C@H](O)CO)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccccn2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccccn2)c(C)c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn(Cc2cccnc2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccncc2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/3C22H19F3N6.C22H20F2N6O.C20H22F3N5O2/c1-14-21(15(2)31(30-14)13-16-7-9-26-10-8-16)19-11-27-12-20(29-19)28-18-5-3-17(4-6-18)22(23,24)25;1-14-21(15(2)31(30-14)13-16-4-3-9-26-10-16)19-11-27-12-20(29-19)28-18-7-5-17(6-8-18)22(23,24)25;1-14-21(15(2)31(30-14)13-18-5-3-4-10-27-18)19-11-26-12-20(29-19)28-17-8-6-16(7-9-17)22(23,24)25;1-14-21(15(2)30(29-14)13-17-5-3-4-10-26-17)19-11-25-12-20(28-19)27-16-6-8-18(9-7-16)31-22(23)24;1-12-19(13(2)28(27-12)8-7-16(30)11-29)17-9-24-10-18(26-17)25-15-5-3-14(4-6-15)20(21,22)23/h3*3-12H,13H2,1-2H3,(H,28,29);3-12,22H,13H2,1-2H3,(H,27,28);3-6,9-10,16,29-30H,7-8,11H2,1-2H3,(H,25,26)/t;;;;16-/m....0/s1
InChIKeyMQYIPTDJVBYSMR-OTJANGPCSA-N
MW2117.15 g/mol
LogP23.70
Rot. Bonds29

About N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol

N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol (PubChem CID 159645869) has the molecular formula C108H99F14N29O3 and a molecular weight of 2117.15 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol
PubChem CID159645869
Molecular FormulaC108H99F14N29O3
Molecular Weight2117.15 g/mol
Exact Mass2115.83
IUPAC NameN-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol
SMILESCc1nn(CC[C@H](O)CO)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccccn2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccccn2)c(C)c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn(Cc2cccnc2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccncc2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/3C22H19F3N6.C22H20F2N6O.C20H22F3N5O2/c1-14-21(15(2)31(30-14)13-16-7-9-26-10-8-16)19-11-27-12-20(29-19)28-18-5-3-17(4-6-18)22(23,24)25;1-14-21(15(2)31(30-14)13-16-4-3-9-26-10-16)19-11-27-12-20(29-19)28-18-7-5-17(6-8-18)22(23,24)25;1-14-21(15(2)31(30-14)13-18-5-3-4-10-27-18)19-11-26-12-20(29-19)28-17-8-6-16(7-9-17)22(23,24)25;1-14-21(15(2)30(29-14)13-17-5-3-4-10-26-17)19-11-25-12-20(28-19)27-16-6-8-18(9-7-16)31-22(23)24;1-12-19(13(2)28(27-12)8-7-16(30)11-29)17-9-24-10-18(26-17)25-15-5-3-14(4-6-15)20(21,22)23/h3*3-12H,13H2,1-2H3,(H,28,29);3-12,22H,13H2,1-2H3,(H,27,28);3-6,9-10,16,29-30H,7-8,11H2,1-2H3,(H,25,26)/t;;;;16-/m....0/s1
InChIKeyMQYIPTDJVBYSMR-OTJANGPCSA-N
XLogP23.70
TPSA379.40 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002117.15
LogP ≤ 523.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol with MolForge

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Related Compounds

N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine
CID 118095029
1-[3,5-Dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate
CID 122555254
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643
N-[4-(difluoromethoxy)phenyl]-6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;5-N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazine-2,5-diamine;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157207523
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 157296911
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487
6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157437117
2-chloro-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-methoxy-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
CID 157493840
4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157494669

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol (CID 159645869) is N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol is Cc1nn(CC[C@H](O)CO)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccccn2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccccn2)c(C)c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn(Cc2cccnc2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(Cc2ccncc2)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol?
The InChIKey is MQYIPTDJVBYSMR-OTJANGPCSA-N. The full InChI is InChI=1S/3C22H19F3N6.C22H20F2N6O.C20H22F3N5O2/c1-14-21(15(2)31(30-14)13-16-7-9-26-10-8-16)19-11-27-12-20(29-19)28-18-5-3-17(4-6-18)22(23,24)25;1-14-21(15(2)31(30-14)13-16-4-3-9-26-10-16)19-11-27-12-20(29-19)28-18-7-5-17(6-8-18)22(23,24)25;1-14-21(15(2)31(30-14)13-18-5-3-4-10-27-18)19-11-26-12-20(29-19)28-17-8-6-16(7-9-17)22(23,24)25;1-14-21(15(2)30(29-14)13-17-5-3-4-10-26-17)19-11-25-12-20(28-19)27-16-6-8-18(9-7-16)31-22(23)24;1-12-19(13(2)28(27-12)8-7-16(30)11-29)17-9-24-10-18(26-17)25-15-5-3-14(4-6-15)20(21,22)23/h3*3-12H,13H2,1-2H3,(H,28,29);3-12,22H,13H2,1-2H3,(H,27,28);3-6,9-10,16,29-30H,7-8,11H2,1-2H3,(H,25,26)/t;;;;16-/m....0/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol?
N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol has a molecular weight of 2117.15 g/mol, XLogP of 23.70, 29 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;(2S)-4-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]butane-1,2-diol is sourced from PubChem (CID 159645869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).