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

C21H19F4N5O2 — CID 126763779

IUPAC6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C21H19F4N5O2/c22-16-7-14(21(23,24)25)9-26-17(16)20(3-5-32-6-4-20)29-19(31)15-10-28-30-11-13(12-1-2-12)8-27-18(15)30/h7-12H,1-6H2,(H,29,31)
InChIKeyWAAQFIZVJGQITF-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.60
Rot. Bonds4

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

6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763779) has the molecular formula C21H19F4N5O2 and a molecular weight of 449.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763779
Molecular FormulaC21H19F4N5O2
Molecular Weight449.41 g/mol
Exact Mass449.15
IUPAC Name6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C21H19F4N5O2/c22-16-7-14(21(23,24)25)9-26-17(16)20(3-5-32-6-4-20)29-19(31)15-10-28-30-11-13(12-1-2-12)8-27-18(15)30/h7-12H,1-6H2,(H,29,31)
InChIKeyWAAQFIZVJGQITF-UHFFFAOYSA-N
XLogP3.60
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763779) is 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WAAQFIZVJGQITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O2/c22-16-7-14(21(23,24)25)9-26-17(16)20(3-5-32-6-4-20)29-19(31)15-10-28-30-11-13(12-1-2-12)8-27-18(15)30/h7-12H,1-6H2,(H,29,31).
What are the key properties of 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).