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

C23H25N7O2 — CID 168921738

IUPAC4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2cc3nc(-n4ccc(C5CCCOC5)n4)cc(N4CCOCC4)n3n2)ccn1
InChIInChI=1S/C23H25N7O2/c1-2-18(16-32-11-1)19-5-8-29(26-19)21-15-23(28-9-12-31-13-10-28)30-22(25-21)14-20(27-30)17-3-6-24-7-4-17/h3-8,14-15,18H,1-2,9-13,16H2
InChIKeyBVVMCTGNRKXQCD-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.71
Rot. Bonds4

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

4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168921738) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168921738
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2cc3nc(-n4ccc(C5CCCOC5)n4)cc(N4CCOCC4)n3n2)ccn1
InChIInChI=1S/C23H25N7O2/c1-2-18(16-32-11-1)19-5-8-29(26-19)21-15-23(28-9-12-31-13-10-28)30-22(25-21)14-20(27-30)17-3-6-24-7-4-17/h3-8,14-15,18H,1-2,9-13,16H2
InChIKeyBVVMCTGNRKXQCD-UHFFFAOYSA-N
XLogP2.71
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168921738) is 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1cc(-c2cc3nc(-n4ccc(C5CCCOC5)n4)cc(N4CCOCC4)n3n2)ccn1.
What is the InChIKey of 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is BVVMCTGNRKXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-2-18(16-32-11-1)19-5-8-29(26-19)21-15-23(28-9-12-31-13-10-28)30-22(25-21)14-20(27-30)17-3-6-24-7-4-17/h3-8,14-15,18H,1-2,9-13,16H2.
What are the key properties of 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 431.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(oxan-3-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168921738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).