8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline

C16H16N4O — CID 166393596

IUPAC8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(-c2cnn3cccnc23)cc2c1NCCC2
InChIInChI=1S/C16H16N4O/c1-21-14-9-12(8-11-4-2-5-17-15(11)14)13-10-19-20-7-3-6-18-16(13)20/h3,6-10,17H,2,4-5H2,1H3
InChIKeyFIWLSBUBOCABFC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.76
Rot. Bonds2

About 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline

8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 166393596) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline
PubChem CID166393596
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(-c2cnn3cccnc23)cc2c1NCCC2
InChIInChI=1S/C16H16N4O/c1-21-14-9-12(8-11-4-2-5-17-15(11)14)13-10-19-20-7-3-6-18-16(13)20/h3,6-10,17H,2,4-5H2,1H3
InChIKeyFIWLSBUBOCABFC-UHFFFAOYSA-N
XLogP2.76
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline (CID 166393596) is 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline is COc1cc(-c2cnn3cccnc23)cc2c1NCCC2.
What is the InChIKey of 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is FIWLSBUBOCABFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-14-9-12(8-11-4-2-5-17-15(11)14)13-10-19-20-7-3-6-18-16(13)20/h3,6-10,17H,2,4-5H2,1H3.
What are the key properties of 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline?
8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 280.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 166393596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).