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

C19H13BrFN5O2 — CID 155547618

IUPAC2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(Br)c3)cc2n1
InChIInChI=1S/C19H13BrFN5O2/c20-17-8-14(5-6-23-17)28-10-13-7-18-24-15(19(22)27)9-16(26(18)25-13)11-1-3-12(21)4-2-11/h1-9H,10H2,(H2,22,27)
InChIKeyVEIVGBLYCNEWTO-UHFFFAOYSA-N
MW442.25 g/mol
LogP3.37
Rot. Bonds5

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

2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 155547618) has the molecular formula C19H13BrFN5O2 and a molecular weight of 442.25 g/mol. Its IUPAC name is 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID155547618
Molecular FormulaC19H13BrFN5O2
Molecular Weight442.25 g/mol
Exact Mass441.02
IUPAC Name2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(Br)c3)cc2n1
InChIInChI=1S/C19H13BrFN5O2/c20-17-8-14(5-6-23-17)28-10-13-7-18-24-15(19(22)27)9-16(26(18)25-13)11-1-3-12(21)4-2-11/h1-9H,10H2,(H2,22,27)
InChIKeyVEIVGBLYCNEWTO-UHFFFAOYSA-N
XLogP3.37
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 155547618) is 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(Br)c3)cc2n1.
What is the InChIKey of 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is VEIVGBLYCNEWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5O2/c20-17-8-14(5-6-23-17)28-10-13-7-18-24-15(19(22)27)9-16(26(18)25-13)11-1-3-12(21)4-2-11/h1-9H,10H2,(H2,22,27).
What are the key properties of 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 442.25 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 155547618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).