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

C25H23N7O — CID 163266558

IUPAC4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc(-n2ccc(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C25H23N7O/c1-18-3-2-4-20(15-18)31-10-7-21(28-31)23-17-25(30-11-13-33-14-12-30)32-24(27-23)16-22(29-32)19-5-8-26-9-6-19/h2-10,15-17H,11-14H2,1H3
InChIKeyLCCRLUSYIJDEAW-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.79
Rot. Bonds4

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

4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163266558) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID163266558
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc(-n2ccc(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C25H23N7O/c1-18-3-2-4-20(15-18)31-10-7-21(28-31)23-17-25(30-11-13-33-14-12-30)32-24(27-23)16-22(29-32)19-5-8-26-9-6-19/h2-10,15-17H,11-14H2,1H3
InChIKeyLCCRLUSYIJDEAW-UHFFFAOYSA-N
XLogP3.79
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163266558) is 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cccc(-n2ccc(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1.
What is the InChIKey of 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is LCCRLUSYIJDEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-18-3-2-4-20(15-18)31-10-7-21(28-31)23-17-25(30-11-13-33-14-12-30)32-24(27-23)16-22(29-32)19-5-8-26-9-6-19/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 437.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163266558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).