8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine

C16H15FN6O — CID 157074710

IUPAC8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCOCCn1cc2c(N)nc3cc(-c4ccn[nH]4)c(F)cc3c2n1
InChIInChI=1S/C16H15FN6O/c1-24-5-4-23-8-11-15(22-23)10-6-12(17)9(13-2-3-19-21-13)7-14(10)20-16(11)18/h2-3,6-8H,4-5H2,1H3,(H2,18,20)(H,19,21)
InChIKeyACVLIKFBXJVUIS-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.34
Rot. Bonds4

About 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine

8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 157074710) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
PubChem CID157074710
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCOCCn1cc2c(N)nc3cc(-c4ccn[nH]4)c(F)cc3c2n1
InChIInChI=1S/C16H15FN6O/c1-24-5-4-23-8-11-15(22-23)10-6-12(17)9(13-2-3-19-21-13)7-14(10)20-16(11)18/h2-3,6-8H,4-5H2,1H3,(H2,18,20)(H,19,21)
InChIKeyACVLIKFBXJVUIS-UHFFFAOYSA-N
XLogP2.34
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (CID 157074710) is 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is COCCn1cc2c(N)nc3cc(-c4ccn[nH]4)c(F)cc3c2n1.
What is the InChIKey of 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is ACVLIKFBXJVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-24-5-4-23-8-11-15(22-23)10-6-12(17)9(13-2-3-19-21-13)7-14(10)20-16(11)18/h2-3,6-8H,4-5H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 326.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 157074710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).