5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline

C73H73F9N18O8S4 — CID 160558480

IUPAC5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)nc2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C3CC3)cn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)cn2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C20H22N4O2S.C19H19F3N4O2S.2C17H16F3N5O2S/c1-3-27(25,26)16-7-8-18(17(10-16)19-12-24(2)13-22-19)23-20-9-6-15(11-21-20)14-4-5-14;1-3-29(27,28)14-5-6-16(15(8-14)17-11-26(2)12-25-17)23-9-13-4-7-18(24-10-13)19(20,21)22;1-3-28(26,27)12-4-5-14(13(6-12)15-9-25(2)10-23-15)24-16-21-7-11(8-22-16)17(18,19)20;1-3-28(26,27)11-4-5-13(12(8-11)14-9-25(2)10-21-14)22-16-7-6-15(23-24-16)17(18,19)20/h6-14H,3-5H2,1-2H3,(H,21,23);4-8,10-12,23H,3,9H2,1-2H3;4-10H,3H2,1-2H3,(H,21,22,24);4-10H,3H2,1-2H3,(H,22,24)
InChIKeyQYZOXYIWIIIBCL-UHFFFAOYSA-N
MW1629.75 g/mol
LogP14.67
Rot. Bonds22

About 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline

5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline (PubChem CID 160558480) has the molecular formula C73H73F9N18O8S4 and a molecular weight of 1629.75 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
PubChem CID160558480
Molecular FormulaC73H73F9N18O8S4
Molecular Weight1629.75 g/mol
Exact Mass1628.46
IUPAC Name5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)nc2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C3CC3)cn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)cn2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C20H22N4O2S.C19H19F3N4O2S.2C17H16F3N5O2S/c1-3-27(25,26)16-7-8-18(17(10-16)19-12-24(2)13-22-19)23-20-9-6-15(11-21-20)14-4-5-14;1-3-29(27,28)14-5-6-16(15(8-14)17-11-26(2)12-25-17)23-9-13-4-7-18(24-10-13)19(20,21)22;1-3-28(26,27)12-4-5-14(13(6-12)15-9-25(2)10-23-15)24-16-21-7-11(8-22-16)17(18,19)20;1-3-28(26,27)11-4-5-13(12(8-11)14-9-25(2)10-21-14)22-16-7-6-15(23-24-16)17(18,19)20/h6-14H,3-5H2,1-2H3,(H,21,23);4-8,10-12,23H,3,9H2,1-2H3;4-10H,3H2,1-2H3,(H,21,22,24);4-10H,3H2,1-2H3,(H,22,24)
InChIKeyQYZOXYIWIIIBCL-UHFFFAOYSA-N
XLogP14.67
TPSA333.30 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001629.75
LogP ≤ 514.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 157173167
N-[2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;(1S)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)phenyl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2R)-2-phenylbutyl]benzenesulfonamide
CID 157539772
3,6-Bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
CID 158798804
8-[(4,4-difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethyltriazol-4-yl)-N-(2-methylpropyl)-10-methylsulfonyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 159296116
5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 159363475
1-(5,5-Dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)urea;1-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 159442462
8-[(4,4-difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethyltriazol-4-yl)-10-methylsulfonyl-N-propan-2-yl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 159980607
5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1R)-1-phenylethyl]pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-4-(trifluoromethyl)pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 161588099
4-[5-[(4-Tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinoline;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-2,6-naphthyridine;5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]isoquinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline
CID 161745678
5-Cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine
CID 163838809
5-(3,5-Difluorophenyl)-3-ethylsulfonyl-2-[5-(1,2,2,3,3,3-hexafluoropropyl)-1-methylimidazol-2-yl]pyridine;2-[5-ethylsulfonyl-6-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-2-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-3-pyridinyl]pyrimidine;3-ethylsulfonyl-2-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine;2-[5-ethylsulfonyl-6-[1-methyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-3-pyridinyl]pyrimidine
CID 163843998
5-Cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,2,2,3,3,4,4,4-octafluorobutyl)imidazol-2-yl]pyridine;3-ethylsulfonyl-2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-5-pyridin-2-ylpyridine;2-[5-ethylsulfonyl-6-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[5-(1,2,2,3,3,3-hexafluoropropyl)-1-methylimidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,2,2,3,3,4,4,4-octafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine
CID 163933794

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
The IUPAC name of 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline (CID 160558480) is 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline.
What is the SMILES notation for 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
The canonical SMILES for 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline is CCS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)nc2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C3CC3)cn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)cn2)c(-c2cn(C)cn2)c1.
What is the InChIKey of 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
The InChIKey is QYZOXYIWIIIBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S.C19H19F3N4O2S.2C17H16F3N5O2S/c1-3-27(25,26)16-7-8-18(17(10-16)19-12-24(2)13-22-19)23-20-9-6-15(11-21-20)14-4-5-14;1-3-29(27,28)14-5-6-16(15(8-14)17-11-26(2)12-25-17)23-9-13-4-7-18(24-10-13)19(20,21)22;1-3-28(26,27)12-4-5-14(13(6-12)15-9-25(2)10-23-15)24-16-21-7-11(8-22-16)17(18,19)20;1-3-28(26,27)11-4-5-13(12(8-11)14-9-25(2)10-21-14)22-16-7-6-15(23-24-16)17(18,19)20/h6-14H,3-5H2,1-2H3,(H,21,23);4-8,10-12,23H,3,9H2,1-2H3;4-10H,3H2,1-2H3,(H,21,22,24);4-10H,3H2,1-2H3,(H,22,24).
What are the key properties of 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline?
5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline has a molecular weight of 1629.75 g/mol, XLogP of 14.67, 22 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridazin-3-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 160558480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).