3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile

C24H16FN5O — CID 56592261

IUPAC3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1-c1cccnc1
InChIInChI=1S/C24H16FN5O/c1-30-21-13-28-20-10-22(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/h3-10,12-13H,1-2H3
InChIKeyYSXLQPVSYZPUKY-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.87
Rot. Bonds3

About 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile

3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (PubChem CID 56592261) has the molecular formula C24H16FN5O and a molecular weight of 409.42 g/mol. Its IUPAC name is 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
PubChem CID56592261
Molecular FormulaC24H16FN5O
Molecular Weight409.42 g/mol
Exact Mass409.13
IUPAC Name3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1-c1cccnc1
InChIInChI=1S/C24H16FN5O/c1-30-21-13-28-20-10-22(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/h3-10,12-13H,1-2H3
InChIKeyYSXLQPVSYZPUKY-UHFFFAOYSA-N
XLogP4.87
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (CID 56592261) is 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1-c1cccnc1.
What is the InChIKey of 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The InChIKey is YSXLQPVSYZPUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O/c1-30-21-13-28-20-10-22(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/h3-10,12-13H,1-2H3.
What are the key properties of 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile has a molecular weight of 409.42 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56592261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).