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

C18H15FN6O2 — CID 151023600

IUPAC1-[2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C18H15FN6O2/c1-2-14(26)10-3-9(12(19)4-13(10)20)16-15-17(27-25-18(15)21)11(7-22-16)8-5-23-24-6-8/h3-7H,2,20H2,1H3,(H2,21,25)(H,23,24)
InChIKeyLYOZDCBEZDXVSR-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.18
Rot. Bonds4

About 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

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 (PubChem CID 151023600) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 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]propan-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]propan-1-one
PubChem CID151023600
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name1-[2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C18H15FN6O2/c1-2-14(26)10-3-9(12(19)4-13(10)20)16-15-17(27-25-18(15)21)11(7-22-16)8-5-23-24-6-8/h3-7H,2,20H2,1H3,(H2,21,25)(H,23,24)
InChIKeyLYOZDCBEZDXVSR-UHFFFAOYSA-N
XLogP3.18
TPSA136.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.18
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

1-(3-aminobenzo[d]isoxazol-5-yl)-7-fluoro-6-[2-fluoro-4-(methylpyridin-4-ylamino)phenyl]-1H-indazole-3-carboxamide
CID 24773379
US11472802, Example 70
CID 139341979
US11472802, Example 71
CID 139341981
3-[difluoro(quinolin-6-yl)methyl]-5-(1H-pyrazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57690956
3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
CID 155553629
US20240190854, Example 78
CID 164915410
6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38753993
3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methyl-1H-pyrazol-1-yl)propyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821360
N-[1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821716
N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821728
N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821758
N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821823

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]propan-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]propan-1-one (CID 151023600) is 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.
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]propan-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]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is LYOZDCBEZDXVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-2-14(26)10-3-9(12(19)4-13(10)20)16-15-17(27-25-18(15)21)11(7-22-16)8-5-23-24-6-8/h3-7H,2,20H2,1H3,(H2,21,25)(H,23,24).
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]propan-1-one?
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 has a molecular weight of 366.36 g/mol, XLogP of 3.18, 4 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]propan-1-one is sourced from PubChem (CID 151023600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).