4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine

C19H19FN6O — CID 162511974

IUPAC4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCCCCc1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C19H19FN6O/c1-2-3-4-10-5-12(14(20)6-15(10)21)17-16-18(27-26-19(16)22)13(9-23-17)11-7-24-25-8-11/h5-9H,2-4,21H2,1H3,(H2,22,26)(H,24,25)
InChIKeyPQXIRIMMIHZKKC-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.93
Rot. Bonds5

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

4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 162511974) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID162511974
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCCCCc1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C19H19FN6O/c1-2-3-4-10-5-12(14(20)6-15(10)21)17-16-18(27-26-19(16)22)13(9-23-17)11-7-24-25-8-11/h5-9H,2-4,21H2,1H3,(H2,22,26)(H,24,25)
InChIKeyPQXIRIMMIHZKKC-UHFFFAOYSA-N
XLogP3.93
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminobenzo[d]isoxazol-5-yl)-6-{4-[(3-dimethylaminopropyl)pyridin-4-ylamino]-2-fluorophenyl}-7-fluoro-1H-indazole-3-carboxamide
CID 11650704
1-(3-aminobenzo[d]isoxazol-5-yl)-7-fluoro-6-[2-fluoro-4-(methylpyridin-4-ylamino)phenyl]-1H-indazole-3-carboxamide
CID 24773379
1-(3-aminobenzo[d]isoxazol-5-yl)-6-{4-[(2-dimethylaminoethyl)pyridin-4-ylamino]-2-fluorophenyl}-7-fluoro-1H-indazole-3-carboxamide
CID 24773469
7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
CID 134190227
US11472802, Example 70
CID 139341979
US11472802, Example 71
CID 139341981
US11472802, Example 11
CID 139341986
3-[difluoro(quinolin-6-yl)methyl]-5-(1H-pyrazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57690956
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,2-benzoxazol-3-ylmethyl)pyrazole-4-carboxamide
CID 66723614
US11472802, Example 7
CID 139331415
3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
CID 155553629
US11472802, Example 42
CID 139331390

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 162511974) is 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is CCCCc1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is PQXIRIMMIHZKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-2-3-4-10-5-12(14(20)6-15(10)21)17-16-18(27-26-19(16)22)13(9-23-17)11-7-24-25-8-11/h5-9H,2-4,21H2,1H3,(H2,22,26)(H,24,25).
What are the key properties of 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 366.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-butyl-2-fluorophenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 162511974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).