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

C24H20BrN7O — CID 166064335

IUPAC4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESBrc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)n2)c1
InChIInChI=1S/C24H20BrN7O/c25-19-5-1-3-17(13-19)20-6-8-31(28-20)22-15-24(30-9-11-33-12-10-30)32-23(27-22)14-21(29-32)18-4-2-7-26-16-18/h1-8,13-16H,9-12H2
InChIKeyPOOKVSQORQYRPU-UHFFFAOYSA-N
MW502.38 g/mol
LogP4.24
Rot. Bonds4

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

4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 166064335) 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-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID166064335
Molecular FormulaC24H20BrN7O
Molecular Weight502.38 g/mol
Exact Mass501.09
IUPAC Name4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESBrc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)n2)c1
InChIInChI=1S/C24H20BrN7O/c25-19-5-1-3-17(13-19)20-6-8-31(28-20)22-15-24(30-9-11-33-12-10-30)32-23(27-22)14-21(29-32)18-4-2-7-26-16-18/h1-8,13-16H,9-12H2
InChIKeyPOOKVSQORQYRPU-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-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 166064335) is 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Brc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)n2)c1.
What is the InChIKey of 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is POOKVSQORQYRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN7O/c25-19-5-1-3-17(13-19)20-6-8-31(28-20)22-15-24(30-9-11-33-12-10-30)32-23(27-22)14-21(29-32)18-4-2-7-26-16-18/h1-8,13-16H,9-12H2.
What are the key properties of 4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(3-bromophenyl)pyrazol-1-yl]-2-pyridin-3-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-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 166064335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).