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

C24H21N7O — CID 166064344

IUPAC4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(-c2cnn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)c2)cc1
InChIInChI=1S/C24H21N7O/c1-2-5-18(6-3-1)20-16-26-30(17-20)22-14-24(29-9-11-32-12-10-29)31-23(27-22)13-21(28-31)19-7-4-8-25-15-19/h1-8,13-17H,9-12H2
InChIKeyCPHWNWRKTRILMP-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.48
Rot. Bonds4

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

4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 166064344) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID166064344
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(-c2cnn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)c2)cc1
InChIInChI=1S/C24H21N7O/c1-2-5-18(6-3-1)20-16-26-30(17-20)22-14-24(29-9-11-32-12-10-29)31-23(27-22)13-21(28-31)19-7-4-8-25-15-19/h1-8,13-17H,9-12H2
InChIKeyCPHWNWRKTRILMP-UHFFFAOYSA-N
XLogP3.48
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 166064344) is 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1ccc(-c2cnn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)c2)cc1.
What is the InChIKey of 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is CPHWNWRKTRILMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-2-5-18(6-3-1)20-16-26-30(17-20)22-14-24(29-9-11-32-12-10-29)31-23(27-22)13-21(28-31)19-7-4-8-25-15-19/h1-8,13-17H,9-12H2.
What are the key properties of 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 423.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 166064344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).