2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile

C99H70F5N17O8 — CID 161188288

IUPAC2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)(F)c1ccccc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)F.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(F)cc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccccc1C#N
InChIInChI=1S/C27H19N5O2.C26H18F2N4O2.C26H19FN4O2.C20H14F2N4O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-20-6-4-3-5-19(20)14-29)11-21(22)26(23)27(31-32)18-9-7-17(13-28)8-10-18;1-32-21-15-30-20-13-22(33-2)23(34-26(27,28)18-6-4-3-5-7-18)12-19(20)24(21)25(31-32)17-10-8-16(14-29)9-11-17;1-31-22-14-29-21-12-23(32-2)24(33-15-17-5-9-19(27)10-6-17)11-20(21)25(22)26(30-31)18-7-3-16(13-28)4-8-18;1-26-15-10-24-14-8-16(27-2)17(28-20(21)22)7-13(14)18(15)19(25-26)12-5-3-11(9-23)4-6-12/h3-12,15H,16H2,1-2H3;3-13,15H,1-2H3;3-12,14H,15H2,1-2H3;3-8,10,20H,1-2H3
InChIKeyUTJLCKKDPZPFOI-UHFFFAOYSA-N
MW1720.75 g/mol
LogP20.57
Rot. Bonds19

About 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile

2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile (PubChem CID 161188288) has the molecular formula C99H70F5N17O8 and a molecular weight of 1720.75 g/mol. Its IUPAC name is 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
PubChem CID161188288
Molecular FormulaC99H70F5N17O8
Molecular Weight1720.75 g/mol
Exact Mass1719.55
IUPAC Name2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)(F)c1ccccc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)F.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(F)cc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccccc1C#N
InChIInChI=1S/C27H19N5O2.C26H18F2N4O2.C26H19FN4O2.C20H14F2N4O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-20-6-4-3-5-19(20)14-29)11-21(22)26(23)27(31-32)18-9-7-17(13-28)8-10-18;1-32-21-15-30-20-13-22(33-2)23(34-26(27,28)18-6-4-3-5-7-18)12-19(20)24(21)25(31-32)17-10-8-16(14-29)9-11-17;1-31-22-14-29-21-12-23(32-2)24(33-15-17-5-9-19(27)10-6-17)11-20(21)25(22)26(30-31)18-7-3-16(13-28)4-8-18;1-26-15-10-24-14-8-16(27-2)17(28-20(21)22)7-13(14)18(15)19(25-26)12-5-3-11(9-23)4-6-12/h3-12,15H,16H2,1-2H3;3-13,15H,1-2H3;3-12,14H,15H2,1-2H3;3-8,10,20H,1-2H3
InChIKeyUTJLCKKDPZPFOI-UHFFFAOYSA-N
XLogP20.57
TPSA315.63 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001720.75
LogP ≤ 520.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile with MolForge

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Related Compounds

4-[8-[[3-(Aminomethyl)phenyl]methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591535
4-[[1-(4-Cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile
CID 56591634
4-[8-[[3-(Dimethylamino)phenyl]methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591729
4-(3-Ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile
CID 56592003
4-(7,8-Dimethoxy-3-propylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
CID 56592005
4-(7,8-Dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
CID 56592088
2-[[1-(4-Cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile
CID 56592695
4-[8-[Difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56592698
4-[7-Methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56592861
4-(7,8-dimethoxy-3-ethyl-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile
CID 56592002
4-[3-(Difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56592173
4-(7,8-dimethoxy-3-methyl-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-methoxymethylbenzonitrile
CID 56592175

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile (CID 161188288) is 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)(F)c1ccccc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)F.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(F)cc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccccc1C#N.
What is the InChIKey of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The InChIKey is UTJLCKKDPZPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O2.C26H18F2N4O2.C26H19FN4O2.C20H14F2N4O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-20-6-4-3-5-19(20)14-29)11-21(22)26(23)27(31-32)18-9-7-17(13-28)8-10-18;1-32-21-15-30-20-13-22(33-2)23(34-26(27,28)18-6-4-3-5-7-18)12-19(20)24(21)25(31-32)17-10-8-16(14-29)9-11-17;1-31-22-14-29-21-12-23(32-2)24(33-15-17-5-9-19(27)10-6-17)11-20(21)25(22)26(30-31)18-7-3-16(13-28)4-8-18;1-26-15-10-24-14-8-16(27-2)17(28-20(21)22)7-13(14)18(15)19(25-26)12-5-3-11(9-23)4-6-12/h3-12,15H,16H2,1-2H3;3-13,15H,1-2H3;3-12,14H,15H2,1-2H3;3-8,10,20H,1-2H3.
What are the key properties of 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile has a molecular weight of 1720.75 g/mol, XLogP of 20.57, 19 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 161188288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).