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

C16H13FN6O2 — CID 151498025

IUPAC4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOc1c(N)ccc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c1F
InChIInChI=1S/C16H13FN6O2/c1-24-15-10(18)3-2-8(12(15)17)13-11-14(25-23-16(11)19)9(6-20-13)7-4-21-22-5-7/h2-6H,18H2,1H3,(H2,19,23)(H,21,22)
InChIKeyPPVADNNKDQPXSF-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.59
Rot. Bonds3

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

4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 151498025) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID151498025
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOc1c(N)ccc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c1F
InChIInChI=1S/C16H13FN6O2/c1-24-15-10(18)3-2-8(12(15)17)13-11-14(25-23-16(11)19)9(6-20-13)7-4-21-22-5-7/h2-6H,18H2,1H3,(H2,19,23)(H,21,22)
InChIKeyPPVADNNKDQPXSF-UHFFFAOYSA-N
XLogP2.59
TPSA128.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.59
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

US10435405, Example 35
CID 134328076
(S)-N-(4-(4-amino-7-(3,5-dimethylisoxazol-4-yl)-1-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(1-(4-fluorophenyl)ethoxy)phenyl)-1,1-difluoromethanesulfonamide
CID 175682962
3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methyl-1H-pyrazol-1-yl)propyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824897
3-(3-methoxyphenyl)-6-methyl-N-[3-(1H-pyrazol-1-yl)propyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44825002
methyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
CID 148695210
4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 150005954
4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 150127761
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide
CID 150416092
2-hydroxyethyl 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoate
CID 150418962
4-(4-amino-2-fluoro-5-methylsulfinylphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 150581001
4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
CID 150866884
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluorobenzoic acid
CID 150896043

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 151498025) is 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is COc1c(N)ccc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c1F.
What is the InChIKey of 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is PPVADNNKDQPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c1-24-15-10(18)3-2-8(12(15)17)13-11-14(25-23-16(11)19)9(6-20-13)7-4-21-22-5-7/h2-6H,18H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?
4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 340.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluoro-3-methoxyphenyl)-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 151498025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).