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

C17H15FN6OS — CID 150380237

IUPAC4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCCSc1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H15FN6OS/c1-2-26-13-3-9(11(18)4-12(13)19)15-14-16(25-24-17(14)20)10(7-21-15)8-5-22-23-6-8/h3-7H,2,19H2,1H3,(H2,20,24)(H,22,23)
InChIKeyGZOSBWSAZZJQOM-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.70
Rot. Bonds4

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

4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 150380237) has the molecular formula C17H15FN6OS and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID150380237
Molecular FormulaC17H15FN6OS
Molecular Weight370.41 g/mol
Exact Mass370.10
IUPAC Name4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCCSc1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H15FN6OS/c1-2-26-13-3-9(11(18)4-12(13)19)15-14-16(25-24-17(14)20)10(7-21-15)8-5-22-23-6-8/h3-7H,2,19H2,1H3,(H2,20,24)(H,22,23)
InChIKeyGZOSBWSAZZJQOM-UHFFFAOYSA-N
XLogP3.70
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.70
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

[4-[3-Amino-4-(4-amino-2-fluoro-5-methylsulfonylphenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 146820787
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-[3-Amino-4-(4-amino-2-fluoro-5-methylsulfanylphenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 149179779
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-methylsulfinylphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 150581001
4-(4-Amino-2-fluoro-5-methylsulfanylphenyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 150871461
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoic acid
CID 150896043
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
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
4-(4-amino-2-fluoro-5-methylsulfonylphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 151245411

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 150380237) is 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is CCSc1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is GZOSBWSAZZJQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6OS/c1-2-26-13-3-9(11(18)4-12(13)19)15-14-16(25-24-17(14)20)10(7-21-15)8-5-22-23-6-8/h3-7H,2,19H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 370.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-ethylsulfanyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 150380237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).