7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one

C23H25FN6O2 — CID 142346252

IUPAC7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
SMILESCCNONc1ccc(Nc2ccc(F)cc2C)c(-c2cn(C)c(=O)c3cn(C)nc23)c1
InChIInChI=1S/C23H25FN6O2/c1-5-25-32-28-16-7-9-21(26-20-8-6-15(24)10-14(20)2)17(11-16)18-12-29(3)23(31)19-13-30(4)27-22(18)19/h6-13,25-26,28H,5H2,1-4H3
InChIKeyLNDMGPBZBQQLGB-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.00
Rot. Bonds7

About 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one

7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one (PubChem CID 142346252) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
PubChem CID142346252
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
SMILESCCNONc1ccc(Nc2ccc(F)cc2C)c(-c2cn(C)c(=O)c3cn(C)nc23)c1
InChIInChI=1S/C23H25FN6O2/c1-5-25-32-28-16-7-9-21(26-20-8-6-15(24)10-14(20)2)17(11-16)18-12-29(3)23(31)19-13-30(4)27-22(18)19/h6-13,25-26,28H,5H2,1-4H3
InChIKeyLNDMGPBZBQQLGB-UHFFFAOYSA-N
XLogP4.00
TPSA85.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one (CID 142346252) is 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one is CCNONc1ccc(Nc2ccc(F)cc2C)c(-c2cn(C)c(=O)c3cn(C)nc23)c1.
What is the InChIKey of 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The InChIKey is LNDMGPBZBQQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-5-25-32-28-16-7-9-21(26-20-8-6-15(24)10-14(20)2)17(11-16)18-12-29(3)23(31)19-13-30(4)27-22(18)19/h6-13,25-26,28H,5H2,1-4H3.
What are the key properties of 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one has a molecular weight of 436.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 142346252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).