2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide

C21H19FN4O — CID 2005196

IUPAC2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
SMILESCC(C)Cn1nc(NC(=O)c2ccccc2F)c2cc3ccccc3nc21
InChIInChI=1S/C21H19FN4O/c1-13(2)12-26-20-16(11-14-7-3-6-10-18(14)23-20)19(25-26)24-21(27)15-8-4-5-9-17(15)22/h3-11,13H,12H2,1-2H3,(H,24,25,27)
InChIKeyWYAZCAHAYMJBRT-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.63
Rot. Bonds4

About 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide

2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide (PubChem CID 2005196) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
PubChem CID2005196
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
SMILESCC(C)Cn1nc(NC(=O)c2ccccc2F)c2cc3ccccc3nc21
InChIInChI=1S/C21H19FN4O/c1-13(2)12-26-20-16(11-14-7-3-6-10-18(14)23-20)19(25-26)24-21(27)15-8-4-5-9-17(15)22/h3-11,13H,12H2,1-2H3,(H,24,25,27)
InChIKeyWYAZCAHAYMJBRT-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide (CID 2005196) is 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide is CC(C)Cn1nc(NC(=O)c2ccccc2F)c2cc3ccccc3nc21.
What is the InChIKey of 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
The InChIKey is WYAZCAHAYMJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13(2)12-26-20-16(11-14-7-3-6-10-18(14)23-20)19(25-26)24-21(27)15-8-4-5-9-17(15)22/h3-11,13H,12H2,1-2H3,(H,24,25,27).
What are the key properties of 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide has a molecular weight of 362.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide is sourced from PubChem (CID 2005196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).