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

C24H20BrN7O — CID 163266583

IUPAC4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESBrc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C24H20BrN7O/c25-19-3-1-2-18(14-19)20-6-9-31(28-20)22-16-24(30-10-12-33-13-11-30)32-23(27-22)15-21(29-32)17-4-7-26-8-5-17/h1-9,14-16H,10-13H2
InChIKeyOHKRKFAWUVOCMX-UHFFFAOYSA-N
MW502.38 g/mol
LogP4.24
Rot. Bonds4

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

4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163266583) has the molecular formula C24H20BrN7O and a molecular weight of 502.38 g/mol. Its IUPAC name is 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID163266583
Molecular FormulaC24H20BrN7O
Molecular Weight502.38 g/mol
Exact Mass501.09
IUPAC Name4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESBrc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C24H20BrN7O/c25-19-3-1-2-18(14-19)20-6-9-31(28-20)22-16-24(30-10-12-33-13-11-30)32-23(27-22)15-21(29-32)17-4-7-26-8-5-17/h1-9,14-16H,10-13H2
InChIKeyOHKRKFAWUVOCMX-UHFFFAOYSA-N
XLogP4.24
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163266583) is 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Brc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1.
What is the InChIKey of 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is OHKRKFAWUVOCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN7O/c25-19-3-1-2-18(14-19)20-6-9-31(28-20)22-16-24(30-10-12-33-13-11-30)32-23(27-22)15-21(29-32)17-4-7-26-8-5-17/h1-9,14-16H,10-13H2.
What are the key properties of 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 502.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163266583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).