2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one

C143H148Cl6N16O5 — CID 161001893

IUPAC2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)c2)cc1.CCCN(C)C(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCCNC(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCCNC(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCc1cc(Cc2ccc(C(C)(C)C(C)=O)cc2)nc(-c2cccc(Cl)c2)n1.CCc1cc(Cc2ccc(Cn3cc(C)cn3)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C25H28ClN3O.C24H23ClN4.2C24H26ClN3O.C24H25ClN2O.C22H20ClNO/c1-4-13-29(3)24(30)15-19-11-9-18(10-12-19)14-23-17-22(5-2)27-25(28-23)20-7-6-8-21(26)16-20;1-3-22-13-23(28-24(27-22)20-5-4-6-21(25)12-20)11-18-7-9-19(10-8-18)16-29-15-17(2)14-26-29;2*1-3-12-26-23(29)14-18-10-8-17(9-11-18)13-22-16-21(4-2)27-24(28-22)19-6-5-7-20(25)15-19;1-5-21-15-22(27-23(26-21)18-7-6-8-20(25)14-18)13-17-9-11-19(12-10-17)24(3,4)16(2)28;1-15-10-19(12-18-8-6-17(7-9-18)11-16(2)25)13-22(24-15)20-4-3-5-21(23)14-20/h6-12,16-17H,4-5,13-15H2,1-3H3;4-10,12-15H,3,11,16H2,1-2H3;2*5-11,15-16H,3-4,12-14H2,1-2H3,(H,26,29);6-12,14-15H,5,13H2,1-4H3;3-10,13-14H,11-12H2,1-2H3
InChIKeyTVZLYFCRPCCUNW-UHFFFAOYSA-N
MW2383.58 g/mol
LogP32.15
Rot. Bonds41

About 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one

2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one (PubChem CID 161001893) has the molecular formula C143H148Cl6N16O5 and a molecular weight of 2383.58 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
PubChem CID161001893
Molecular FormulaC143H148Cl6N16O5
Molecular Weight2383.58 g/mol
Exact Mass2378.99
IUPAC Name2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)c2)cc1.CCCN(C)C(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCCNC(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCCNC(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCc1cc(Cc2ccc(C(C)(C)C(C)=O)cc2)nc(-c2cccc(Cl)c2)n1.CCc1cc(Cc2ccc(Cn3cc(C)cn3)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C25H28ClN3O.C24H23ClN4.2C24H26ClN3O.C24H25ClN2O.C22H20ClNO/c1-4-13-29(3)24(30)15-19-11-9-18(10-12-19)14-23-17-22(5-2)27-25(28-23)20-7-6-8-21(26)16-20;1-3-22-13-23(28-24(27-22)20-5-4-6-21(25)12-20)11-18-7-9-19(10-8-18)16-29-15-17(2)14-26-29;2*1-3-12-26-23(29)14-18-10-8-17(9-11-18)13-22-16-21(4-2)27-24(28-22)19-6-5-7-20(25)15-19;1-5-21-15-22(27-23(26-21)18-7-6-8-20(25)14-18)13-17-9-11-19(12-10-17)24(3,4)16(2)28;1-15-10-19(12-18-8-6-17(7-9-18)11-16(2)25)13-22(24-15)20-4-3-5-21(23)14-20/h6-12,16-17H,4-5,13-15H2,1-3H3;4-10,12-15H,3,11,16H2,1-2H3;2*5-11,15-16H,3-4,12-14H2,1-2H3,(H,26,29);6-12,14-15H,5,13H2,1-4H3;3-10,13-14H,11-12H2,1-2H3
InChIKeyTVZLYFCRPCCUNW-UHFFFAOYSA-N
XLogP32.15
TPSA272.26 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.58
LogP ≤ 532.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one 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-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
The IUPAC name of 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one (CID 161001893) is 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one is CC(=O)Cc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)c2)cc1.CCCN(C)C(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCCNC(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCCNC(=O)Cc1ccc(Cc2cc(CC)nc(-c3cccc(Cl)c3)n2)cc1.CCc1cc(Cc2ccc(C(C)(C)C(C)=O)cc2)nc(-c2cccc(Cl)c2)n1.CCc1cc(Cc2ccc(Cn3cc(C)cn3)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
The InChIKey is TVZLYFCRPCCUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O.C24H23ClN4.2C24H26ClN3O.C24H25ClN2O.C22H20ClNO/c1-4-13-29(3)24(30)15-19-11-9-18(10-12-19)14-23-17-22(5-2)27-25(28-23)20-7-6-8-21(26)16-20;1-3-22-13-23(28-24(27-22)20-5-4-6-21(25)12-20)11-18-7-9-19(10-8-18)16-29-15-17(2)14-26-29;2*1-3-12-26-23(29)14-18-10-8-17(9-11-18)13-22-16-21(4-2)27-24(28-22)19-6-5-7-20(25)15-19;1-5-21-15-22(27-23(26-21)18-7-6-8-20(25)14-18)13-17-9-11-19(12-10-17)24(3,4)16(2)28;1-15-10-19(12-18-8-6-17(7-9-18)11-16(2)25)13-22(24-15)20-4-3-5-21(23)14-20/h6-12,16-17H,4-5,13-15H2,1-3H3;4-10,12-15H,3,11,16H2,1-2H3;2*5-11,15-16H,3-4,12-14H2,1-2H3,(H,26,29);6-12,14-15H,5,13H2,1-4H3;3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one has a molecular weight of 2383.58 g/mol, XLogP of 32.15, 41 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one is sourced from PubChem (CID 161001893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).