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

C23H20N8O — CID 166064360

IUPAC4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)ccn1
InChIInChI=1S/C23H20N8O/c1-6-24-7-2-17(1)19-5-10-30(27-19)21-16-23(29-11-13-32-14-12-29)31-22(26-21)15-20(28-31)18-3-8-25-9-4-18/h1-10,15-16H,11-14H2
InChIKeyWRCKFSPEXNPQOI-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.88
Rot. Bonds4

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

4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 166064360) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID166064360
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)ccn1
InChIInChI=1S/C23H20N8O/c1-6-24-7-2-17(1)19-5-10-30(27-19)21-16-23(29-11-13-32-14-12-29)31-22(26-21)15-20(28-31)18-3-8-25-9-4-18/h1-10,15-16H,11-14H2
InChIKeyWRCKFSPEXNPQOI-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-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 166064360) is 4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1cc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)ccn1.
What is the InChIKey of 4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is WRCKFSPEXNPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-6-24-7-2-17(1)19-5-10-30(27-19)21-16-23(29-11-13-32-14-12-29)31-22(26-21)15-20(28-31)18-3-8-25-9-4-18/h1-10,15-16H,11-14H2.
What are the key properties of 4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-pyridin-4-yl-5-(3-pyridin-4-ylpyrazol-1-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-(3-pyridin-4-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 166064360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).