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

C24H22N8O — CID 163798403

IUPAC4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc(-c2cnn(-c3cc(N4CCOCC4)n4nc(-c5cncnc5)cc4n3)c2)c1
InChIInChI=1S/C24H22N8O/c1-17-3-2-4-18(9-17)20-14-27-31(15-20)22-11-24(30-5-7-33-8-6-30)32-23(28-22)10-21(29-32)19-12-25-16-26-13-19/h2-4,9-16H,5-8H2,1H3
InChIKeyNCVKJXFNPRKMML-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.18
Rot. Bonds4

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

4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163798403) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID163798403
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc(-c2cnn(-c3cc(N4CCOCC4)n4nc(-c5cncnc5)cc4n3)c2)c1
InChIInChI=1S/C24H22N8O/c1-17-3-2-4-18(9-17)20-14-27-31(15-20)22-11-24(30-5-7-33-8-6-30)32-23(28-22)10-21(29-32)19-12-25-16-26-13-19/h2-4,9-16H,5-8H2,1H3
InChIKeyNCVKJXFNPRKMML-UHFFFAOYSA-N
XLogP3.18
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163798403) is 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cccc(-c2cnn(-c3cc(N4CCOCC4)n4nc(-c5cncnc5)cc4n3)c2)c1.
What is the InChIKey of 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is NCVKJXFNPRKMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-17-3-2-4-18(9-17)20-14-27-31(15-20)22-11-24(30-5-7-33-8-6-30)32-23(28-22)10-21(29-32)19-12-25-16-26-13-19/h2-4,9-16H,5-8H2,1H3.
What are the key properties of 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 438.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(3-methylphenyl)pyrazol-1-yl]-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163798403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).