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

C25H27FN6O2 — CID 142464260

IUPAC4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C25H27FN6O2/c1-33-24-12-20-19(2-5-27-23(20)13-22(24)26)21-15-29-32-16-18(14-28-25(21)32)30-6-3-17(4-7-30)31-8-10-34-11-9-31/h2,5,12-17H,3-4,6-11H2,1H3
InChIKeyCXWJAORVRUAPEQ-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.39
Rot. Bonds4

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

4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine (PubChem CID 142464260) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine
PubChem CID142464260
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C25H27FN6O2/c1-33-24-12-20-19(2-5-27-23(20)13-22(24)26)21-15-29-32-16-18(14-28-25(21)32)30-6-3-17(4-7-30)31-8-10-34-11-9-31/h2,5,12-17H,3-4,6-11H2,1H3
InChIKeyCXWJAORVRUAPEQ-UHFFFAOYSA-N
XLogP3.39
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine (CID 142464260) is 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine is COc1cc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine?
The InChIKey is CXWJAORVRUAPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-33-24-12-20-19(2-5-27-23(20)13-22(24)26)21-15-29-32-16-18(14-28-25(21)32)30-6-3-17(4-7-30)31-8-10-34-11-9-31/h2,5,12-17H,3-4,6-11H2,1H3.
What are the key properties of 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine?
4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine has a molecular weight of 462.53 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 142464260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).