4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine

C23H23N5O2 — CID 5329453

IUPAC4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESc1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)ccn1
InChIInChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2
InChIKeyOOQJIJYKWXLQNC-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.17
Rot. Bonds6

About 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine

4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (PubChem CID 5329453) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
PubChem CID5329453
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESc1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)ccn1
InChIInChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2
InChIKeyOOQJIJYKWXLQNC-UHFFFAOYSA-N
XLogP3.17
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (CID 5329453) is 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is c1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)ccn1.
What is the InChIKey of 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The InChIKey is OOQJIJYKWXLQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2.
What are the key properties of 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine has a molecular weight of 401.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 5329453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).