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

C17H15FN6O2 — CID 150127761

IUPAC4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOc1cc(-c2ncc(-c3cn[nH]c3C)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H15FN6O2/c1-7-9(6-22-23-7)10-5-21-15(14-16(10)26-24-17(14)20)8-3-13(25-2)12(19)4-11(8)18/h3-6H,19H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyFAOWAHOTVSCQEC-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.90
Rot. Bonds3

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

4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 150127761) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID150127761
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC Name4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOc1cc(-c2ncc(-c3cn[nH]c3C)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H15FN6O2/c1-7-9(6-22-23-7)10-5-21-15(14-16(10)26-24-17(14)20)8-3-13(25-2)12(19)4-11(8)18/h3-6H,19H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyFAOWAHOTVSCQEC-UHFFFAOYSA-N
XLogP2.90
TPSA128.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

US10435405, Example 35
CID 134328076
(S)-N-(4-(4-amino-7-(3,5-dimethylisoxazol-4-yl)-1-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(1-(4-fluorophenyl)ethoxy)phenyl)-1,1-difluoromethanesulfonamide
CID 175682962
methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
CID 148695210
4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 150005954
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide
CID 150416092
4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
CID 150866884
1-[2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorophenyl]butan-1-one
CID 150994289
ethyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
CID 150998161
1-[2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorophenyl]propan-1-one
CID 151023600
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide
CID 151079449
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide
CID 151341337
4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 151498025

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 150127761) is 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-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-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is COc1cc(-c2ncc(-c3cn[nH]c3C)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is FAOWAHOTVSCQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-7-9(6-22-23-7)10-5-21-15(14-16(10)26-24-17(14)20)8-3-13(25-2)12(19)4-11(8)18/h3-6H,19H2,1-2H3,(H2,20,24)(H,22,23).
What are the key properties of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 354.35 g/mol, XLogP of 2.90, 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-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 150127761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).