3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C22H16N4O — CID 44577754

IUPAC3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1
InChIInChI=1S/C22H16N4O/c1-27-19-8-6-15(7-9-19)18-12-24-22-20(13-25-26(22)14-18)17-10-16-4-2-3-5-21(16)23-11-17/h2-14H,1H3
InChIKeyMVZHDNZYAXHSMJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.62
Rot. Bonds3

About 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 44577754) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID44577754
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1
InChIInChI=1S/C22H16N4O/c1-27-19-8-6-15(7-9-19)18-12-24-22-20(13-25-26(22)14-18)17-10-16-4-2-3-5-21(16)23-11-17/h2-14H,1H3
InChIKeyMVZHDNZYAXHSMJ-UHFFFAOYSA-N
XLogP4.62
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 44577754) is 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is MVZHDNZYAXHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-27-19-8-6-15(7-9-19)18-12-24-22-20(13-25-26(22)14-18)17-10-16-4-2-3-5-21(16)23-11-17/h2-14H,1H3.
What are the key properties of 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 352.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 44577754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).