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

C19H17FN6O2 — CID 150994289

IUPAC1-[2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorophenyl]butan-1-one
SMILESCCCC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C19H17FN6O2/c1-2-3-15(27)11-4-10(13(20)5-14(11)21)17-16-18(28-26-19(16)22)12(8-23-17)9-6-24-25-7-9/h4-8H,2-3,21H2,1H3,(H2,22,26)(H,24,25)
InChIKeyLSTJLJYRJLFTJD-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.57
Rot. Bonds5

About 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

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 (PubChem CID 150994289) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorophenyl]butan-1-one
PubChem CID150994289
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name1-[2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorophenyl]butan-1-one
SMILESCCCC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C19H17FN6O2/c1-2-3-15(27)11-4-10(13(20)5-14(11)21)17-16-18(28-26-19(16)22)12(8-23-17)9-6-24-25-7-9/h4-8H,2-3,21H2,1H3,(H2,22,26)(H,24,25)
InChIKeyLSTJLJYRJLFTJD-UHFFFAOYSA-N
XLogP3.57
TPSA136.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.57
H-Bond Donors ≤ 53
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of 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?
The InChIKey is LSTJLJYRJLFTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-2-3-15(27)11-4-10(13(20)5-14(11)21)17-16-18(28-26-19(16)22)12(8-23-17)9-6-24-25-7-9/h4-8H,2-3,21H2,1H3,(H2,22,26)(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 380.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 150994289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).