2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate

C101H80Cl2F15N15O6 — CID 165017532

IUPAC2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1CCN2c1nccc(Cc2cc(C)cc(F)c2)n1.Cc1cc(F)cc(Cc2ccnc(N3CCc4c(C(=O)CCCO)cccc43)n2)c1.Cc1cc(F)cc(Cc2ccnc(N3CCc4c(C(=O)O)cccc43)n2)c1.Fc1cc(Cc2ccnc(Cl)n2)cc(C(F)(F)F)c1.N#CC(c1cc(F)cc(C(F)(F)F)c1)c1ccnc(Cl)n1.N#CCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24FN3O2.C22H20FN3O2.C21H18FN3O2.C13H6ClF4N3.C12H7ClF4N2.C9H5F4N/c1-16-12-17(14-18(25)13-16)15-19-7-9-26-24(27-19)28-10-8-20-21(4-2-5-22(20)28)23(30)6-3-11-29;1-14-10-15(12-16(23)11-14)13-17-6-8-24-22(25-17)26-9-7-18-19(21(27)28-2)4-3-5-20(18)26;1-13-9-14(11-15(22)10-13)12-16-5-7-23-21(24-16)25-8-6-17-18(20(26)27)3-2-4-19(17)25;14-12-20-2-1-11(21-12)10(6-19)7-3-8(13(16,17)18)5-9(15)4-7;13-11-18-2-1-10(19-11)5-7-3-8(12(15,16)17)6-9(14)4-7;10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h2,4-5,7,9,12-14,29H,3,6,8,10-11,15H2,1H3;3-6,8,10-12H,7,9,13H2,1-2H3;2-5,7,9-11H,6,8,12H2,1H3,(H,26,27);1-5,10H;1-4,6H,5H2;3-5H,1H2
InChIKeyKQSQFDWAAUMGPJ-UHFFFAOYSA-N
MW1955.73 g/mol
LogP22.80
Rot. Bonds20

About 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate

2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate (PubChem CID 165017532) has the molecular formula C101H80Cl2F15N15O6 and a molecular weight of 1955.73 g/mol. Its IUPAC name is 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate.

Molecular Properties

Compound Name2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate
PubChem CID165017532
Molecular FormulaC101H80Cl2F15N15O6
Molecular Weight1955.73 g/mol
Exact Mass1953.56
IUPAC Name2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1CCN2c1nccc(Cc2cc(C)cc(F)c2)n1.Cc1cc(F)cc(Cc2ccnc(N3CCc4c(C(=O)CCCO)cccc43)n2)c1.Cc1cc(F)cc(Cc2ccnc(N3CCc4c(C(=O)O)cccc43)n2)c1.Fc1cc(Cc2ccnc(Cl)n2)cc(C(F)(F)F)c1.N#CC(c1cc(F)cc(C(F)(F)F)c1)c1ccnc(Cl)n1.N#CCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24FN3O2.C22H20FN3O2.C21H18FN3O2.C13H6ClF4N3.C12H7ClF4N2.C9H5F4N/c1-16-12-17(14-18(25)13-16)15-19-7-9-26-24(27-19)28-10-8-20-21(4-2-5-22(20)28)23(30)6-3-11-29;1-14-10-15(12-16(23)11-14)13-17-6-8-24-22(25-17)26-9-7-18-19(21(27)28-2)4-3-5-20(18)26;1-13-9-14(11-15(22)10-13)12-16-5-7-23-21(24-16)25-8-6-17-18(20(26)27)3-2-4-19(17)25;14-12-20-2-1-11(21-12)10(6-19)7-3-8(13(16,17)18)5-9(15)4-7;13-11-18-2-1-10(19-11)5-7-3-8(12(15,16)17)6-9(14)4-7;10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h2,4-5,7,9,12-14,29H,3,6,8,10-11,15H2,1H3;3-6,8,10-12H,7,9,13H2,1-2H3;2-5,7,9-11H,6,8,12H2,1H3,(H,26,27);1-5,10H;1-4,6H,5H2;3-5H,1H2
InChIKeyKQSQFDWAAUMGPJ-UHFFFAOYSA-N
XLogP22.80
TPSA287.10 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.73
LogP ≤ 522.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate?
The IUPAC name of 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate (CID 165017532) is 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate.
What is the SMILES notation for 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate?
The canonical SMILES for 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate is COC(=O)c1cccc2c1CCN2c1nccc(Cc2cc(C)cc(F)c2)n1.Cc1cc(F)cc(Cc2ccnc(N3CCc4c(C(=O)CCCO)cccc43)n2)c1.Cc1cc(F)cc(Cc2ccnc(N3CCc4c(C(=O)O)cccc43)n2)c1.Fc1cc(Cc2ccnc(Cl)n2)cc(C(F)(F)F)c1.N#CC(c1cc(F)cc(C(F)(F)F)c1)c1ccnc(Cl)n1.N#CCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate?
The InChIKey is KQSQFDWAAUMGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2.C22H20FN3O2.C21H18FN3O2.C13H6ClF4N3.C12H7ClF4N2.C9H5F4N/c1-16-12-17(14-18(25)13-16)15-19-7-9-26-24(27-19)28-10-8-20-21(4-2-5-22(20)28)23(30)6-3-11-29;1-14-10-15(12-16(23)11-14)13-17-6-8-24-22(25-17)26-9-7-18-19(21(27)28-2)4-3-5-20(18)26;1-13-9-14(11-15(22)10-13)12-16-5-7-23-21(24-16)25-8-6-17-18(20(26)27)3-2-4-19(17)25;14-12-20-2-1-11(21-12)10(6-19)7-3-8(13(16,17)18)5-9(15)4-7;13-11-18-2-1-10(19-11)5-7-3-8(12(15,16)17)6-9(14)4-7;10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h2,4-5,7,9,12-14,29H,3,6,8,10-11,15H2,1H3;3-6,8,10-12H,7,9,13H2,1-2H3;2-5,7,9-11H,6,8,12H2,1H3,(H,26,27);1-5,10H;1-4,6H,5H2;3-5H,1H2.
What are the key properties of 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate?
2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate has a molecular weight of 1955.73 g/mol, XLogP of 22.80, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate is sourced from PubChem (CID 165017532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).