7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H12F5N5O2 — CID 155550334

IUPAC7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)n2nc(COc3ccnc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C20H12F5N5O2/c21-10-1-2-13(14(22)5-10)16-8-15(19(26)31)28-18-6-11(29-30(16)18)9-32-12-3-4-27-17(7-12)20(23,24)25/h1-8H,9H2,(H2,26,31)
InChIKeyFBLCBRKDBOBKLP-UHFFFAOYSA-N
MW449.34 g/mol
LogP3.77
Rot. Bonds5

About 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 155550334) has the molecular formula C20H12F5N5O2 and a molecular weight of 449.34 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID155550334
Molecular FormulaC20H12F5N5O2
Molecular Weight449.34 g/mol
Exact Mass449.09
IUPAC Name7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)n2nc(COc3ccnc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C20H12F5N5O2/c21-10-1-2-13(14(22)5-10)16-8-15(19(26)31)28-18-6-11(29-30(16)18)9-32-12-3-4-27-17(7-12)20(23,24)25/h1-8H,9H2,(H2,26,31)
InChIKeyFBLCBRKDBOBKLP-UHFFFAOYSA-N
XLogP3.77
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 155550334) is 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2F)n2nc(COc3ccnc(C(F)(F)F)c3)cc2n1.
What is the InChIKey of 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is FBLCBRKDBOBKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N5O2/c21-10-1-2-13(14(22)5-10)16-8-15(19(26)31)28-18-6-11(29-30(16)18)9-32-12-3-4-27-17(7-12)20(23,24)25/h1-8H,9H2,(H2,26,31).
What are the key properties of 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 449.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 155550334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).