4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C23H20N8O — CID 168921836

IUPAC4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cncc(-n2nccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1
InChIInChI=1S/C23H20N8O/c1-2-18(16-25-6-1)30-21(5-9-26-30)20-15-23(29-10-12-32-13-11-29)31-22(27-20)14-19(28-31)17-3-7-24-8-4-17/h1-9,14-16H,10-13H2
InChIKeyDKXAOAFXAQLLJV-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.88
Rot. Bonds4

About 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168921836) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168921836
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cncc(-n2nccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1
InChIInChI=1S/C23H20N8O/c1-2-18(16-25-6-1)30-21(5-9-26-30)20-15-23(29-10-12-32-13-11-29)31-22(27-20)14-19(28-31)17-3-7-24-8-4-17/h1-9,14-16H,10-13H2
InChIKeyDKXAOAFXAQLLJV-UHFFFAOYSA-N
XLogP2.88
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168921836) is 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1cncc(-n2nccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1.
What is the InChIKey of 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is DKXAOAFXAQLLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-2-18(16-25-6-1)30-21(5-9-26-30)20-15-23(29-10-12-32-13-11-29)31-22(27-20)14-19(28-31)17-3-7-24-8-4-17/h1-9,14-16H,10-13H2.
What are the key properties of 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 424.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168921836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).