4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

C93H79F2N17O7 — CID 159376281

About 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline (PubChem CID 159376281) has the molecular formula C93H79F2N17O7 and a molecular weight of 1584.76 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline.

Molecular Properties

• Compound Name: 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
• PubChem CID: 159376281
• Molecular Formula: C93H79F2N17O7
• Molecular Weight: 1584.76 g/mol
• Exact Mass: 1583.63
• IUPAC Name: 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
• SMILES: CCN1CCN(c2ccc(-c3nn(C)c4cnc5cc(OC)c(OC)cc5c34)cc2)CC1.COc1cc2ncc3[nH]nc(-c4ccc(C#N)c(-c5ccccc5)c4)c3c2cc1OC.COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1-c1cccnc1.COc1cc2ncc3c(c(-c4ccccc4F)nn3C)c2cc1OC
• InChI: InChI=1S/C25H29N5O2.C25H18N4O2.C24H16FN5O.C19H16FN3O2/c1-5-29-10-12-30(13-11-29)18-8-6-17(7-9-18)25-24-19-14-22(31-3)23(32-4)15-20(19)26-16-21(24)28(2)27-25;1-30-22-11-19-20(12-23(22)31-2)27-14-21-24(19)25(29-28-21)16-8-9-17(13-26)18(10-16)15-6-4-3-5-7-15;1-30-21-13-28-20-10-22(31-2)17(15-4-3-7-27-12-15)9-18(20)23(21)24(29-30)16-6-5-14(11-26)8-19(16)25;1-23-15-10-21-14-9-17(25-3)16(24-2)8-12(14)18(15)19(22-23)11-6-4-5-7-13(11)20/h6-9,14-16H,5,10-13H2,1-4H3;3-12,14H,1-2H3,(H,28,29);3-10,12-13H,1-2H3;4-10H,1-3H3
• InChIKey: LKIWFUKJDCJEOI-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 265.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.76
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?

The IUPAC name of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline (CID 159376281) is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline.

What is the SMILES notation for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?

The canonical SMILES for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline is CCN1CCN(c2ccc(-c3nn(C)c4cnc5cc(OC)c(OC)cc5c34)cc2)CC1.COc1cc2ncc3[nH]nc(-c4ccc(C#N)c(-c5ccccc5)c4)c3c2cc1OC.COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1-c1cccnc1.COc1cc2ncc3c(c(-c4ccccc4F)nn3C)c2cc1OC.

What is the InChIKey of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?

The InChIKey is LKIWFUKJDCJEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.C25H18N4O2.C24H16FN5O.C19H16FN3O2/c1-5-29-10-12-30(13-11-29)18-8-6-17(7-9-18)25-24-19-14-22(31-3)23(32-4)15-20(19)26-16-21(24)28(2)27-25;1-30-22-11-19-20(12-23(22)31-2)27-14-21-24(19)25(29-28-21)16-8-9-17(13-26)18(10-16)15-6-4-3-5-7-15;1-30-21-13-28-20-10-22(31-2)17(15-4-3-7-27-12-15)9-18(20)23(21)24(29-30)16-6-5-14(11-26)8-19(16)25;1-23-15-10-21-14-9-17(25-3)16(24-2)8-12(14)18(15)19(22-23)11-6-4-5-7-13(11)20/h6-9,14-16H,5,10-13H2,1-4H3;3-12,14H,1-2H3,(H,28,29);3-10,12-13H,1-2H3;4-10H,1-3H3.

What are the key properties of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline?

4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline has a molecular weight of 1584.76 g/mol, XLogP of 18.10, 15 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline is sourced from PubChem (CID 159376281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).