4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C25H20F3N7O — CID 163266601

IUPAC4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C25H20F3N7O/c26-25(27,28)19-3-1-17(2-4-19)20-7-10-34(31-20)22-16-24(33-11-13-36-14-12-33)35-23(30-22)15-21(32-35)18-5-8-29-9-6-18/h1-10,15-16H,11-14H2
InChIKeyUUIIRNSQUBDLED-UHFFFAOYSA-N
MW491.48 g/mol
LogP4.50
Rot. Bonds4

About 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163266601) has the molecular formula C25H20F3N7O and a molecular weight of 491.48 g/mol. Its IUPAC name is 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID163266601
Molecular FormulaC25H20F3N7O
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC Name4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C25H20F3N7O/c26-25(27,28)19-3-1-17(2-4-19)20-7-10-34(31-20)22-16-24(33-11-13-36-14-12-33)35-23(30-22)15-21(32-35)18-5-8-29-9-6-18/h1-10,15-16H,11-14H2
InChIKeyUUIIRNSQUBDLED-UHFFFAOYSA-N
XLogP4.50
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163266601) is 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is FC(F)(F)c1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1.
What is the InChIKey of 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is UUIIRNSQUBDLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O/c26-25(27,28)19-3-1-17(2-4-19)20-7-10-34(31-20)22-16-24(33-11-13-36-14-12-33)35-23(30-22)15-21(32-35)18-5-8-29-9-6-18/h1-10,15-16H,11-14H2.
What are the key properties of 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 491.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-4-yl-5-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163266601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).