6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H20F4N4O2 — CID 126763770

IUPAC6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C22H20F4N4O2/c23-18-9-15(22(24,25)26)3-4-17(18)21(5-7-32-8-6-21)29-20(31)16-11-28-30-12-14(13-1-2-13)10-27-19(16)30/h3-4,9-13H,1-2,5-8H2,(H,29,31)
InChIKeyCBIYQAWTIRRKCF-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.20
Rot. Bonds4

About 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763770) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763770
Molecular FormulaC22H20F4N4O2
Molecular Weight448.42 g/mol
Exact Mass448.15
IUPAC Name6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C22H20F4N4O2/c23-18-9-15(22(24,25)26)3-4-17(18)21(5-7-32-8-6-21)29-20(31)16-11-28-30-12-14(13-1-2-13)10-27-19(16)30/h3-4,9-13H,1-2,5-8H2,(H,29,31)
InChIKeyCBIYQAWTIRRKCF-UHFFFAOYSA-N
XLogP4.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763770) is 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1(c2ccc(C(F)(F)F)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CBIYQAWTIRRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c23-18-9-15(22(24,25)26)3-4-17(18)21(5-7-32-8-6-21)29-20(31)16-11-28-30-12-14(13-1-2-13)10-27-19(16)30/h3-4,9-13H,1-2,5-8H2,(H,29,31).
What are the key properties of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 448.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).