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

C16H13FN6O2 — CID 150866884

IUPAC4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESCOc1cc(-c2cnc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C16H13FN6O2/c1-24-12-2-8(10(17)3-11(12)18)9-6-20-14(7-4-21-22-5-7)15-13(9)16(19)23-25-15/h2-6H,18H2,1H3,(H2,19,23)(H,21,22)
InChIKeyKTFVQPMFMICGKC-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.59
Rot. Bonds3

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

4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine (PubChem CID 150866884) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
PubChem CID150866884
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESCOc1cc(-c2cnc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C16H13FN6O2/c1-24-12-2-8(10(17)3-11(12)18)9-6-20-14(7-4-21-22-5-7)15-13(9)16(19)23-25-15/h2-6H,18H2,1H3,(H2,19,23)(H,21,22)
InChIKeyKTFVQPMFMICGKC-UHFFFAOYSA-N
XLogP2.59
TPSA128.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine (CID 150866884) is 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine is COc1cc(-c2cnc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The InChIKey is KTFVQPMFMICGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c1-24-12-2-8(10(17)3-11(12)18)9-6-20-14(7-4-21-22-5-7)15-13(9)16(19)23-25-15/h2-6H,18H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine has a molecular weight of 340.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 150866884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).