2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole

C76H75BrN18O11 — CID 160685852

IUPAC2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole
SMILESCNCCNC.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(=O)cc(C)[nH]c12.COc1cc(-n2cccn2)ccc1-c1nn(C)cc1N.COc1cc(-n2cccn2)ccc1C(=O)CN1C(=O)c2ccccc2C1=O.COc1cc(Br)ccc1C(=O)CN1C(=O)c2ccccc2C1=O.c1cn[nH]c1
InChIInChI=1S/C20H15N3O4.C18H17N5O2.C17H12BrNO4.C14H15N5O.C4H12N2.C3H4N2/c1-27-18-11-13(23-10-4-9-21-23)7-8-16(18)17(24)12-22-19(25)14-5-2-3-6-15(14)20(22)26;1-11-9-14(24)18-17(20-11)16(21-22(18)2)13-6-5-12(10-15(13)25-3)23-8-4-7-19-23;1-23-15-8-10(18)6-7-13(15)14(20)9-19-16(21)11-4-2-3-5-12(11)17(19)22;1-18-9-12(15)14(17-18)11-5-4-10(8-13(11)20-2)19-7-3-6-16-19;1-5-3-4-6-2;1-2-4-5-3-1/h2-11H,12H2,1H3;4-10H,1-3H3,(H,20,24);2-8H,9H2,1H3;3-9H,15H2,1-2H3;5-6H,3-4H2,1-2H3;1-3H,(H,4,5)
InChIKeyROTFUAUNLYPMRL-UHFFFAOYSA-N
MW1496.45 g/mol
LogP9.43
Rot. Bonds18

About 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole

2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole (PubChem CID 160685852) has the molecular formula C76H75BrN18O11 and a molecular weight of 1496.45 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole.

Molecular Properties

Compound Name2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole
PubChem CID160685852
Molecular FormulaC76H75BrN18O11
Molecular Weight1496.45 g/mol
Exact Mass1494.50
IUPAC Name2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole
SMILESCNCCNC.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(=O)cc(C)[nH]c12.COc1cc(-n2cccn2)ccc1-c1nn(C)cc1N.COc1cc(-n2cccn2)ccc1C(=O)CN1C(=O)c2ccccc2C1=O.COc1cc(Br)ccc1C(=O)CN1C(=O)c2ccccc2C1=O.c1cn[nH]c1
InChIInChI=1S/C20H15N3O4.C18H17N5O2.C17H12BrNO4.C14H15N5O.C4H12N2.C3H4N2/c1-27-18-11-13(23-10-4-9-21-23)7-8-16(18)17(24)12-22-19(25)14-5-2-3-6-15(14)20(22)26;1-11-9-14(24)18-17(20-11)16(21-22(18)2)13-6-5-12(10-15(13)25-3)23-8-4-7-19-23;1-23-15-8-10(18)6-7-13(15)14(20)9-19-16(21)11-4-2-3-5-12(11)17(19)22;1-18-9-12(15)14(17-18)11-5-4-10(8-13(11)20-2)19-7-3-6-16-19;1-5-3-4-6-2;1-2-4-5-3-1/h2-11H,12H2,1H3;4-10H,1-3H3,(H,20,24);2-8H,9H2,1H3;3-9H,15H2,1-2H3;5-6H,3-4H2,1-2H3;1-3H,(H,4,5)
InChIKeyROTFUAUNLYPMRL-UHFFFAOYSA-N
XLogP9.43
TPSA346.54 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001496.45
LogP ≤ 59.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole with MolForge

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Related Compounds

2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
CID 159965716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole?
The IUPAC name of 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole (CID 160685852) is 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole.
What is the SMILES notation for 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole?
The canonical SMILES for 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole is CNCCNC.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(=O)cc(C)[nH]c12.COc1cc(-n2cccn2)ccc1-c1nn(C)cc1N.COc1cc(-n2cccn2)ccc1C(=O)CN1C(=O)c2ccccc2C1=O.COc1cc(Br)ccc1C(=O)CN1C(=O)c2ccccc2C1=O.c1cn[nH]c1.
What is the InChIKey of 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole?
The InChIKey is ROTFUAUNLYPMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4.C18H17N5O2.C17H12BrNO4.C14H15N5O.C4H12N2.C3H4N2/c1-27-18-11-13(23-10-4-9-21-23)7-8-16(18)17(24)12-22-19(25)14-5-2-3-6-15(14)20(22)26;1-11-9-14(24)18-17(20-11)16(21-22(18)2)13-6-5-12(10-15(13)25-3)23-8-4-7-19-23;1-23-15-8-10(18)6-7-13(15)14(20)9-19-16(21)11-4-2-3-5-12(11)17(19)22;1-18-9-12(15)14(17-18)11-5-4-10(8-13(11)20-2)19-7-3-6-16-19;1-5-3-4-6-2;1-2-4-5-3-1/h2-11H,12H2,1H3;4-10H,1-3H3,(H,20,24);2-8H,9H2,1H3;3-9H,15H2,1-2H3;5-6H,3-4H2,1-2H3;1-3H,(H,4,5).
What are the key properties of 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole?
2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole has a molecular weight of 1496.45 g/mol, XLogP of 9.43, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-methoxyphenyl)-2-oxoethyl]isoindole-1,3-dione;N,N'-dimethylethane-1,2-diamine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-4H-pyrazolo[4,5-b]pyridin-7-one;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1-methylpyrazol-4-amine;2-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-2-oxoethyl]isoindole-1,3-dione;1H-pyrazole is sourced from PubChem (CID 160685852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).