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

C20H13F4N5O2 — CID 155511336

IUPAC7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C20H13F4N5O2/c21-12-3-1-11(2-4-12)16-9-15(19(25)30)27-18-7-13(28-29(16)18)10-31-14-5-6-26-17(8-14)20(22,23)24/h1-9H,10H2,(H2,25,30)
InChIKeyWZTHJWNYBIKZNF-UHFFFAOYSA-N
MW431.35 g/mol
LogP3.63
Rot. Bonds5

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

7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 155511336) has the molecular formula C20H13F4N5O2 and a molecular weight of 431.35 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID155511336
Molecular FormulaC20H13F4N5O2
Molecular Weight431.35 g/mol
Exact Mass431.10
IUPAC Name7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C20H13F4N5O2/c21-12-3-1-11(2-4-12)16-9-15(19(25)30)27-18-7-13(28-29(16)18)10-31-14-5-6-26-17(8-14)20(22,23)24/h1-9H,10H2,(H2,25,30)
InChIKeyWZTHJWNYBIKZNF-UHFFFAOYSA-N
XLogP3.63
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 155511336) is 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(C(F)(F)F)c3)cc2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WZTHJWNYBIKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c21-12-3-1-11(2-4-12)16-9-15(19(25)30)27-18-7-13(28-29(16)18)10-31-14-5-6-26-17(8-14)20(22,23)24/h1-9H,10H2,(H2,25,30).
What are the key properties of 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 431.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 155511336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).