5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one

C125H112N18O6 — CID 163567470

IUPAC5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CCc2ccc(-c3ccc4c(c3)CC(=O)N4)nn2)cc1.Cc1ccc(CCc2cnc(-c3ccc4c(c3)CC(=O)N4)cn2)cc1.Cc1ccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)c(C)n2)cc1.Cc1nc(CCc2ccccc2)ncc1-c1ccc2c(c1)CC(=O)N2.O=C1Cc2cc(-c3cnc(CCc4ccccc4)cn3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1
InChIInChI=1S/C22H21N3O.3C21H19N3O.2C20H17N3O/c1-14-3-5-16(6-4-14)7-10-21-23-13-19(15(2)24-21)17-8-9-20-18(11-17)12-22(26)25-20;1-14-2-4-15(5-3-14)6-8-18-9-11-20(24-23-18)16-7-10-19-17(12-16)13-21(25)22-19;1-14-2-4-15(5-3-14)6-8-18-12-23-20(13-22-18)16-7-9-19-17(10-16)11-21(25)24-19;1-14-18(16-8-9-19-17(11-16)12-21(25)24-19)13-22-20(23-14)10-7-15-5-3-2-4-6-15;24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14;24-20-11-16-10-15(7-9-18(16)23-20)19-13-21-17(12-22-19)8-6-14-4-2-1-3-5-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3,(H,25,26);2-5,7,9-12H,6,8,13H2,1H3,(H,22,25);2-5,7,9-10,12-13H,6,8,11H2,1H3,(H,24,25);2-6,8-9,11,13H,7,10,12H2,1H3,(H,24,25);1-5,7-8,10,12-13H,6,9,11H2,(H,23,24);1-5,7,9-10,12-13H,6,8,11H2,(H,23,24)
InChIKeyFWKXUFGIKMTKNZ-UHFFFAOYSA-N
MW1962.39 g/mol
LogP22.08
Rot. Bonds24

About 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one

5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 163567470) has the molecular formula C125H112N18O6 and a molecular weight of 1962.39 g/mol. Its IUPAC name is 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
PubChem CID163567470
Molecular FormulaC125H112N18O6
Molecular Weight1962.39 g/mol
Exact Mass1960.90
IUPAC Name5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CCc2ccc(-c3ccc4c(c3)CC(=O)N4)nn2)cc1.Cc1ccc(CCc2cnc(-c3ccc4c(c3)CC(=O)N4)cn2)cc1.Cc1ccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)c(C)n2)cc1.Cc1nc(CCc2ccccc2)ncc1-c1ccc2c(c1)CC(=O)N2.O=C1Cc2cc(-c3cnc(CCc4ccccc4)cn3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1
InChIInChI=1S/C22H21N3O.3C21H19N3O.2C20H17N3O/c1-14-3-5-16(6-4-14)7-10-21-23-13-19(15(2)24-21)17-8-9-20-18(11-17)12-22(26)25-20;1-14-2-4-15(5-3-14)6-8-18-9-11-20(24-23-18)16-7-10-19-17(12-16)13-21(25)22-19;1-14-2-4-15(5-3-14)6-8-18-12-23-20(13-22-18)16-7-9-19-17(10-16)11-21(25)24-19;1-14-18(16-8-9-19-17(11-16)12-21(25)24-19)13-22-20(23-14)10-7-15-5-3-2-4-6-15;24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14;24-20-11-16-10-15(7-9-18(16)23-20)19-13-21-17(12-22-19)8-6-14-4-2-1-3-5-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3,(H,25,26);2-5,7,9-12H,6,8,13H2,1H3,(H,22,25);2-5,7,9-10,12-13H,6,8,11H2,1H3,(H,24,25);2-6,8-9,11,13H,7,10,12H2,1H3,(H,24,25);1-5,7-8,10,12-13H,6,9,11H2,(H,23,24);1-5,7,9-10,12-13H,6,8,11H2,(H,23,24)
InChIKeyFWKXUFGIKMTKNZ-UHFFFAOYSA-N
XLogP22.08
TPSA329.28 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001962.39
LogP ≤ 522.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one (CID 163567470) is 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one is Cc1ccc(CCc2ccc(-c3ccc4c(c3)CC(=O)N4)nn2)cc1.Cc1ccc(CCc2cnc(-c3ccc4c(c3)CC(=O)N4)cn2)cc1.Cc1ccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)c(C)n2)cc1.Cc1nc(CCc2ccccc2)ncc1-c1ccc2c(c1)CC(=O)N2.O=C1Cc2cc(-c3cnc(CCc4ccccc4)cn3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1.
What is the InChIKey of 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is FWKXUFGIKMTKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.3C21H19N3O.2C20H17N3O/c1-14-3-5-16(6-4-14)7-10-21-23-13-19(15(2)24-21)17-8-9-20-18(11-17)12-22(26)25-20;1-14-2-4-15(5-3-14)6-8-18-9-11-20(24-23-18)16-7-10-19-17(12-16)13-21(25)22-19;1-14-2-4-15(5-3-14)6-8-18-12-23-20(13-22-18)16-7-9-19-17(10-16)11-21(25)24-19;1-14-18(16-8-9-19-17(11-16)12-21(25)24-19)13-22-20(23-14)10-7-15-5-3-2-4-6-15;24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14;24-20-11-16-10-15(7-9-18(16)23-20)19-13-21-17(12-22-19)8-6-14-4-2-1-3-5-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3,(H,25,26);2-5,7,9-12H,6,8,13H2,1H3,(H,22,25);2-5,7,9-10,12-13H,6,8,11H2,1H3,(H,24,25);2-6,8-9,11,13H,7,10,12H2,1H3,(H,24,25);1-5,7-8,10,12-13H,6,9,11H2,(H,23,24);1-5,7,9-10,12-13H,6,8,11H2,(H,23,24).
What are the key properties of 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 1962.39 g/mol, XLogP of 22.08, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 163567470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).