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

C25H27N7O — CID 162379249

IUPAC4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(C2CN(c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)CCN2)cc1
InChIInChI=1S/C25H27N7O/c1-2-4-19(5-3-1)22-18-31(11-10-27-22)23-17-25(30-12-14-33-15-13-30)32-24(28-23)16-21(29-32)20-6-8-26-9-7-20/h1-9,16-17,22,27H,10-15,18H2
InChIKeyVLPBRHSABODXQH-UHFFFAOYSA-N
MW441.54 g/mol
LogP2.78
Rot. Bonds4

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

4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 162379249) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID162379249
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(C2CN(c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)CCN2)cc1
InChIInChI=1S/C25H27N7O/c1-2-4-19(5-3-1)22-18-31(11-10-27-22)23-17-25(30-12-14-33-15-13-30)32-24(28-23)16-21(29-32)20-6-8-26-9-7-20/h1-9,16-17,22,27H,10-15,18H2
InChIKeyVLPBRHSABODXQH-UHFFFAOYSA-N
XLogP2.78
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 162379249) is 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1ccc(C2CN(c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)CCN2)cc1.
What is the InChIKey of 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is VLPBRHSABODXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-2-4-19(5-3-1)22-18-31(11-10-27-22)23-17-25(30-12-14-33-15-13-30)32-24(28-23)16-21(29-32)20-6-8-26-9-7-20/h1-9,16-17,22,27H,10-15,18H2.
What are the key properties of 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 441.54 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-phenylpiperazin-1-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 162379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).