7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C24H19FN6O — CID 142464196

IUPAC7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CC(c6ccncc6)C5)cnc34)ccnc2cc1F
InChIInChI=1S/C24H19FN6O/c1-32-23-8-19-18(4-7-27-22(19)9-21(23)25)20-11-29-31-14-17(10-28-24(20)31)30-12-16(13-30)15-2-5-26-6-3-15/h2-11,14,16H,12-13H2,1H3
InChIKeyOBNFFNMGWGHZOD-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.09
Rot. Bonds4

About 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464196) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464196
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CC(c6ccncc6)C5)cnc34)ccnc2cc1F
InChIInChI=1S/C24H19FN6O/c1-32-23-8-19-18(4-7-27-22(19)9-21(23)25)20-11-29-31-14-17(10-28-24(20)31)30-12-16(13-30)15-2-5-26-6-3-15/h2-11,14,16H,12-13H2,1H3
InChIKeyOBNFFNMGWGHZOD-UHFFFAOYSA-N
XLogP4.09
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464196) is 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CC(c6ccncc6)C5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is OBNFFNMGWGHZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-32-23-8-19-18(4-7-27-22(19)9-21(23)25)20-11-29-31-14-17(10-28-24(20)31)30-12-16(13-30)15-2-5-26-6-3-15/h2-11,14,16H,12-13H2,1H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 426.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[6-(3-pyridin-4-ylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).