4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C26H21FN6O2 — CID 168921712

IUPAC4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1cccc(Oc2ncccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1
InChIInChI=1S/C26H21FN6O2/c27-19-3-1-4-20(15-19)35-26-21(5-2-8-29-26)23-17-25(32-11-13-34-14-12-32)33-24(30-23)16-22(31-33)18-6-9-28-10-7-18/h1-10,15-17H,11-14H2
InChIKeyVORQMHBPSYIVIT-UHFFFAOYSA-N
MW468.49 g/mol
LogP4.62
Rot. Bonds5

About 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168921712) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168921712
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1cccc(Oc2ncccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1
InChIInChI=1S/C26H21FN6O2/c27-19-3-1-4-20(15-19)35-26-21(5-2-8-29-26)23-17-25(32-11-13-34-14-12-32)33-24(30-23)16-22(31-33)18-6-9-28-10-7-18/h1-10,15-17H,11-14H2
InChIKeyVORQMHBPSYIVIT-UHFFFAOYSA-N
XLogP4.62
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168921712) is 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Fc1cccc(Oc2ncccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1.
What is the InChIKey of 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is VORQMHBPSYIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O2/c27-19-3-1-4-20(15-19)35-26-21(5-2-8-29-26)23-17-25(32-11-13-34-14-12-32)33-24(30-23)16-22(31-33)18-6-9-28-10-7-18/h1-10,15-17H,11-14H2.
What are the key properties of 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 468.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(3-fluorophenoxy)-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168921712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).