5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile

C22H16FN7O2 — CID 122599161

IUPAC5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1C#N)c(=O)n3C
InChIInChI=1S/C22H16FN7O2/c1-28-11-13(8-27-28)14-4-15-17(5-19(14)32-3)26-10-18-21(15)30(22(31)29(18)2)20-12(6-24)7-25-9-16(20)23/h4-5,7-11H,1-3H3
InChIKeyZRXUOLBVPGGBTF-UHFFFAOYSA-N
MW429.42 g/mol
LogP2.69
Rot. Bonds3

About 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile

5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile (PubChem CID 122599161) has the molecular formula C22H16FN7O2 and a molecular weight of 429.42 g/mol. Its IUPAC name is 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile
PubChem CID122599161
Molecular FormulaC22H16FN7O2
Molecular Weight429.42 g/mol
Exact Mass429.13
IUPAC Name5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1C#N)c(=O)n3C
InChIInChI=1S/C22H16FN7O2/c1-28-11-13(8-27-28)14-4-15-17(5-19(14)32-3)26-10-18-21(15)30(22(31)29(18)2)20-12(6-24)7-25-9-16(20)23/h4-5,7-11H,1-3H3
InChIKeyZRXUOLBVPGGBTF-UHFFFAOYSA-N
XLogP2.69
TPSA103.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile (CID 122599161) is 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1C#N)c(=O)n3C.
What is the InChIKey of 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZRXUOLBVPGGBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O2/c1-28-11-13(8-27-28)14-4-15-17(5-19(14)32-3)26-10-18-21(15)30(22(31)29(18)2)20-12(6-24)7-25-9-16(20)23/h4-5,7-11H,1-3H3.
What are the key properties of 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile?
5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile has a molecular weight of 429.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 122599161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).