4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine

C16H10F4N6O — CID 150005954

IUPAC4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESNc1cc(F)c(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N6O/c17-10-2-11(21)9(16(18,19)20)1-7(10)13-12-14(27-26-15(12)22)8(5-23-13)6-3-24-25-4-6/h1-5H,21H2,(H2,22,26)(H,24,25)
InChIKeyDCGYCUQIYSBJFO-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.60
Rot. Bonds2

About 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine

4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 150005954) has the molecular formula C16H10F4N6O and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID150005954
Molecular FormulaC16H10F4N6O
Molecular Weight378.29 g/mol
Exact Mass378.09
IUPAC Name4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESNc1cc(F)c(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N6O/c17-10-2-11(21)9(16(18,19)20)1-7(10)13-12-14(27-26-15(12)22)8(5-23-13)6-3-24-25-4-6/h1-5H,21H2,(H2,22,26)(H,24,25)
InChIKeyDCGYCUQIYSBJFO-UHFFFAOYSA-N
XLogP3.60
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 150005954) is 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is Nc1cc(F)c(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)cc1C(F)(F)F.
What is the InChIKey of 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is DCGYCUQIYSBJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6O/c17-10-2-11(21)9(16(18,19)20)1-7(10)13-12-14(27-26-15(12)22)8(5-23-13)6-3-24-25-4-6/h1-5H,21H2,(H2,22,26)(H,24,25).
What are the key properties of 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 378.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 150005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).