4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine

C20H18FN5O2 — CID 142464409

IUPAC4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine
SMILESCOc1cc2c(-c3cnn4cc(N5CCOCC5)cnc34)ccnc2cc1F
InChIInChI=1S/C20H18FN5O2/c1-27-19-8-15-14(2-3-22-18(15)9-17(19)21)16-11-24-26-12-13(10-23-20(16)26)25-4-6-28-7-5-25/h2-3,8-12H,4-7H2,1H3
InChIKeyFQYOMXUVXIQBCV-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.93
Rot. Bonds3

About 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine

4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine (PubChem CID 142464409) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine
PubChem CID142464409
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine
SMILESCOc1cc2c(-c3cnn4cc(N5CCOCC5)cnc34)ccnc2cc1F
InChIInChI=1S/C20H18FN5O2/c1-27-19-8-15-14(2-3-22-18(15)9-17(19)21)16-11-24-26-12-13(10-23-20(16)26)25-4-6-28-7-5-25/h2-3,8-12H,4-7H2,1H3
InChIKeyFQYOMXUVXIQBCV-UHFFFAOYSA-N
XLogP2.93
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine?
The IUPAC name of 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine (CID 142464409) is 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine.
What is the SMILES notation for 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine?
The canonical SMILES for 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine is COc1cc2c(-c3cnn4cc(N5CCOCC5)cnc34)ccnc2cc1F.
What is the InChIKey of 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine?
The InChIKey is FQYOMXUVXIQBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-27-19-8-15-14(2-3-22-18(15)9-17(19)21)16-11-24-26-12-13(10-23-20(16)26)25-4-6-28-7-5-25/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine?
4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine has a molecular weight of 379.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine is sourced from PubChem (CID 142464409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).