6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one

C133H112N16O4 — CID 159965666

About 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one

6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one (PubChem CID 159965666) has the molecular formula C133H112N16O4 and a molecular weight of 1998.47 g/mol. Its IUPAC name is 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one.

Molecular Properties

• Compound Name: 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one
• PubChem CID: 159965666
• Molecular Formula: C133H112N16O4
• Molecular Weight: 1998.47 g/mol
• Exact Mass: 1996.91
• IUPAC Name: 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one
• SMILES: C=C1C=Cc2cc3c(cc2C1)CN=C3.C=C1C=Cc2cc3c(cc2C1)CN=C3c1ccnc(C)c1.C=C1C=Cc2cc3c(cc2C1)CN=C3c1cnn(C)c1.CC1=Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CC1=Cc2cc3c(cc2CC1=O)CN=C3c1cnn(C)c1.Cc1cc(C2=NCc3cc4c(cc32)C=C(Cc2ccccc2)C(=O)C4)ccn1.Cn1cc(C2=NCc3cc4c(cc32)C=C(Cc2ccccc2)C(=O)C4)cn1
• InChI: InChI=1S/C25H20N2O.C23H19N3O.C19H16N2O.C19H16N2.C17H15N3O.C17H15N3.C13H11N/c1-16-9-18(7-8-26-16)25-23-13-19-11-21(10-17-5-3-2-4-6-17)24(28)14-20(19)12-22(23)15-27-25;1-26-14-20(13-25-26)23-21-10-16-8-18(7-15-5-3-2-4-6-15)22(27)11-17(16)9-19(21)12-24-23;1-11-5-14-8-17-16(7-15(14)9-18(11)22)10-21-19(17)13-3-4-20-12(2)6-13;1-12-3-4-14-10-18-17(9-16(14)7-12)11-21-19(18)15-5-6-20-13(2)8-15;1-10-3-11-5-15-13(4-12(11)6-16(10)21)7-18-17(15)14-8-19-20(2)9-14;1-11-3-4-12-7-16-14(6-13(12)5-11)8-18-17(16)15-9-19-20(2)10-15;1-9-2-3-10-5-12-7-14-8-13(12)6-11(10)4-9/h2-9,11-13H,10,14-15H2,1H3;2-6,8-10,13-14H,7,11-12H2,1H3;3-8H,9-10H2,1-2H3;3-6,8-10H,1,7,11H2,2H3;3-5,8-9H,6-7H2,1-2H3;3-4,6-7,9-10H,1,5,8H2,2H3;2-3,5-7H,1,4,8H2
• InChIKey: ODWYTOFWOJEJLW-UHFFFAOYSA-N
• XLogP: 23.09
• TPSA: 246.93 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.47
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one?

The IUPAC name of 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one (CID 159965666) is 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one.

What is the SMILES notation for 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one?

The canonical SMILES for 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one is C=C1C=Cc2cc3c(cc2C1)CN=C3.C=C1C=Cc2cc3c(cc2C1)CN=C3c1ccnc(C)c1.C=C1C=Cc2cc3c(cc2C1)CN=C3c1cnn(C)c1.CC1=Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CC1=Cc2cc3c(cc2CC1=O)CN=C3c1cnn(C)c1.Cc1cc(C2=NCc3cc4c(cc32)C=C(Cc2ccccc2)C(=O)C4)ccn1.Cn1cc(C2=NCc3cc4c(cc32)C=C(Cc2ccccc2)C(=O)C4)cn1.

What is the InChIKey of 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one?

The InChIKey is ODWYTOFWOJEJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O.C23H19N3O.C19H16N2O.C19H16N2.C17H15N3O.C17H15N3.C13H11N/c1-16-9-18(7-8-26-16)25-23-13-19-11-21(10-17-5-3-2-4-6-17)24(28)14-20(19)12-22(23)15-27-25;1-26-14-20(13-25-26)23-21-10-16-8-18(7-15-5-3-2-4-6-15)22(27)11-17(16)9-19(21)12-24-23;1-11-5-14-8-17-16(7-15(14)9-18(11)22)10-21-19(17)13-3-4-20-12(2)6-13;1-12-3-4-14-10-18-17(9-16(14)7-12)11-21-19(18)15-5-6-20-13(2)8-15;1-10-3-11-5-15-13(4-12(11)6-16(10)21)7-18-17(15)14-8-19-20(2)9-14;1-11-3-4-12-7-16-14(6-13(12)5-11)8-18-17(16)15-9-19-20(2)10-15;1-9-2-3-10-5-12-7-14-8-13(12)6-11(10)4-9/h2-9,11-13H,10,14-15H2,1H3;2-6,8-10,13-14H,7,11-12H2,1H3;3-8H,9-10H2,1-2H3;3-6,8-10H,1,7,11H2,2H3;3-5,8-9H,6-7H2,1-2H3;3-4,6-7,9-10H,1,5,8H2,2H3;2-3,5-7H,1,4,8H2.

What are the key properties of 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one?

6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one has a molecular weight of 1998.47 g/mol, XLogP of 23.09, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-3-(1-methylpyrazol-4-yl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-methylidene-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindole;6-methylidene-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindole;7-methyl-1-(1-methylpyrazol-4-yl)-3,5-dihydrobenzo[f]isoindol-6-one;7-methyl-1-(2-methyl-4-pyridinyl)-3,5-dihydrobenzo[f]isoindol-6-one is sourced from PubChem (CID 159965666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).