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

C25H23N7O — CID 163266552

IUPAC4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccccc1-c1ccn(-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)n1
InChIInChI=1S/C25H23N7O/c1-18-4-2-3-5-20(18)21-8-11-31(28-21)23-17-25(30-12-14-33-15-13-30)32-24(27-23)16-22(29-32)19-6-9-26-10-7-19/h2-11,16-17H,12-15H2,1H3
InChIKeyIMTRSQIONSFXJR-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.79
Rot. Bonds4

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

4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163266552) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID163266552
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccccc1-c1ccn(-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)n1
InChIInChI=1S/C25H23N7O/c1-18-4-2-3-5-20(18)21-8-11-31(28-21)23-17-25(30-12-14-33-15-13-30)32-24(27-23)16-22(29-32)19-6-9-26-10-7-19/h2-11,16-17H,12-15H2,1H3
InChIKeyIMTRSQIONSFXJR-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-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163266552) is 4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1ccccc1-c1ccn(-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)n1.
What is the InChIKey of 4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is IMTRSQIONSFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-18-4-2-3-5-20(18)21-8-11-31(28-21)23-17-25(30-12-14-33-15-13-30)32-24(27-23)16-22(29-32)19-6-9-26-10-7-19/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 4-[5-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(2-methylphenyl)pyrazol-1-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-[3-(2-methylphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163266552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).