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

C17H13FN6O3 — CID 148695210

IUPACmethyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
SMILESCOC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H13FN6O3/c1-26-17(25)9-2-8(11(18)3-12(9)19)14-13-15(27-24-16(13)20)10(6-21-14)7-4-22-23-5-7/h2-6H,19H2,1H3,(H2,20,24)(H,22,23)
InChIKeyNUGRPZFDGUZEPW-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.37
Rot. Bonds3

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

methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate (PubChem CID 148695210) has the molecular formula C17H13FN6O3 and a molecular weight of 368.33 g/mol. Its IUPAC name is methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
PubChem CID148695210
Molecular FormulaC17H13FN6O3
Molecular Weight368.33 g/mol
Exact Mass368.10
IUPAC Namemethyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
SMILESCOC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H13FN6O3/c1-26-17(25)9-2-8(11(18)3-12(9)19)14-13-15(27-24-16(13)20)10(6-21-14)7-4-22-23-5-7/h2-6H,19H2,1H3,(H2,20,24)(H,22,23)
InChIKeyNUGRPZFDGUZEPW-UHFFFAOYSA-N
XLogP2.37
TPSA145.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
CID 155553629
3-(1-fluoro-1-quinolin-6-ylethyl)-5-(1H-pyrazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 68075621
4-[1-[(1-fluorocyclohexyl)methyl]-3-(1H-indazol-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059934
3,5-dimethyl-4-[7-[2-(trifluoromethyl)pyridin-3-yl]-1H-indazol-5-yl]-1,2-oxazole
CID 121292978
3,5-dimethyl-4-[7-[4-(trifluoromethyl)pyridin-3-yl]-1H-indazol-5-yl]-1,2-oxazole
CID 121293024
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate
CID 122688371
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate
CID 130320058
3,5-bis(ethenyl)-4-[7-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole
CID 147233155
[4-[3-Amino-4-[4-amino-5-(ethylcarbamoyl)-2-fluorophenyl]-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 147346367
[4-[4-(5-Acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 148126067
Methyl 2-amino-5-[3-amino-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
CID 148822666
[4-[3-Amino-4-(4-amino-2-fluoro-5-propanoylphenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 149184960

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate?
The IUPAC name of methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate (CID 148695210) is methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate?
The canonical SMILES for methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate is COC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate?
The InChIKey is NUGRPZFDGUZEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O3/c1-26-17(25)9-2-8(11(18)3-12(9)19)14-13-15(27-24-16(13)20)10(6-21-14)7-4-22-23-5-7/h2-6H,19H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate?
methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate has a molecular weight of 368.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate is sourced from PubChem (CID 148695210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).