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

C24H22N8O — CID 166064361

IUPAC4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)n2)c1
InChIInChI=1S/C24H22N8O/c1-17-11-19(16-26-14-17)20-4-6-31(28-20)22-13-24(30-7-9-33-10-8-30)32-23(27-22)12-21(29-32)18-3-2-5-25-15-18/h2-6,11-16H,7-10H2,1H3
InChIKeyGBXPLYNRIGFWDR-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.18
Rot. Bonds4

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

4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 166064361) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID166064361
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)n2)c1
InChIInChI=1S/C24H22N8O/c1-17-11-19(16-26-14-17)20-4-6-31(28-20)22-13-24(30-7-9-33-10-8-30)32-23(27-22)12-21(29-32)18-3-2-5-25-15-18/h2-6,11-16H,7-10H2,1H3
InChIKeyGBXPLYNRIGFWDR-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-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 166064361) is 4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cccnc5)cc4n3)n2)c1.
What is the InChIKey of 4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is GBXPLYNRIGFWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-17-11-19(16-26-14-17)20-4-6-31(28-20)22-13-24(30-7-9-33-10-8-30)32-23(27-22)12-21(29-32)18-3-2-5-25-15-18/h2-6,11-16H,7-10H2,1H3.
What are the key properties of 4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-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-[3-(5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 166064361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).