2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide

C18H16FN7O2 — CID 151341337

IUPAC2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C18H16FN7O2/c1-2-22-18(27)10-3-9(12(19)4-13(10)20)15-14-16(28-26-17(14)21)11(7-23-15)8-5-24-25-6-8/h3-7H,2,20H2,1H3,(H2,21,26)(H,22,27)(H,24,25)
InChIKeyOKNUSGOSKGSQQK-UHFFFAOYSA-N
MW381.37 g/mol
LogP2.33
Rot. Bonds4

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

2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide (PubChem CID 151341337) has the molecular formula C18H16FN7O2 and a molecular weight of 381.37 g/mol. Its IUPAC name is 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide
PubChem CID151341337
Molecular FormulaC18H16FN7O2
Molecular Weight381.37 g/mol
Exact Mass381.13
IUPAC Name2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C18H16FN7O2/c1-2-22-18(27)10-3-9(12(19)4-13(10)20)15-14-16(28-26-17(14)21)11(7-23-15)8-5-24-25-6-8/h3-7H,2,20H2,1H3,(H2,21,26)(H,22,27)(H,24,25)
InChIKeyOKNUSGOSKGSQQK-UHFFFAOYSA-N
XLogP2.33
TPSA148.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.33
H-Bond Donors ≤ 54
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 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide?
The IUPAC name of 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) is 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide is CCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide?
The InChIKey is OKNUSGOSKGSQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O2/c1-2-22-18(27)10-3-9(12(19)4-13(10)20)15-14-16(28-26-17(14)21)11(7-23-15)8-5-24-25-6-8/h3-7H,2,20H2,1H3,(H2,21,26)(H,22,27)(H,24,25).
What are the key properties of 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide?
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide has a molecular weight of 381.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 151341337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).