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

C17H14FN7O2 — CID 151079449

IUPAC2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H14FN7O2/c1-21-17(26)9-2-8(11(18)3-12(9)19)14-13-15(27-25-16(13)20)10(6-22-14)7-4-23-24-5-7/h2-6H,19H2,1H3,(H2,20,25)(H,21,26)(H,23,24)
InChIKeyMJUUZZSMBBSHTP-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.94
Rot. Bonds3

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

2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide (PubChem CID 151079449) has the molecular formula C17H14FN7O2 and a molecular weight of 367.34 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]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide
PubChem CID151079449
Molecular FormulaC17H14FN7O2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC Name2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C17H14FN7O2/c1-21-17(26)9-2-8(11(18)3-12(9)19)14-13-15(27-25-16(13)20)10(6-22-14)7-4-23-24-5-7/h2-6H,19H2,1H3,(H2,20,25)(H,21,26)(H,23,24)
InChIKeyMJUUZZSMBBSHTP-UHFFFAOYSA-N
XLogP1.94
TPSA148.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.94
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]-4-fluoro-N-methylbenzamide?
The IUPAC name of 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) is 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide.
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]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide is CNC(=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]-4-fluoro-N-methylbenzamide?
The InChIKey is MJUUZZSMBBSHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O2/c1-21-17(26)9-2-8(11(18)3-12(9)19)14-13-15(27-25-16(13)20)10(6-22-14)7-4-23-24-5-7/h2-6H,19H2,1H3,(H2,20,25)(H,21,26)(H,23,24).
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]-4-fluoro-N-methylbenzamide?
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-methylbenzamide has a molecular weight of 367.34 g/mol, XLogP of 1.94, 3 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]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 151079449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).