4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one

C20H19F2N5O2 — CID 145261797

IUPAC4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1C=C(c2ccc(NN)c(N)c2Oc2ccc(F)cc2F)C2C=CNC2C1=O
InChIInChI=1S/C20H19F2N5O2/c1-27-9-13(11-6-7-25-18(11)20(27)28)12-3-4-15(26-24)17(23)19(12)29-16-5-2-10(21)8-14(16)22/h2-9,11,18,25-26H,23-24H2,1H3
InChIKeySLNNGPFHVBPYHR-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.54
Rot. Bonds4

About 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one

4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 145261797) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID145261797
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1C=C(c2ccc(NN)c(N)c2Oc2ccc(F)cc2F)C2C=CNC2C1=O
InChIInChI=1S/C20H19F2N5O2/c1-27-9-13(11-6-7-25-18(11)20(27)28)12-3-4-15(26-24)17(23)19(12)29-16-5-2-10(21)8-14(16)22/h2-9,11,18,25-26H,23-24H2,1H3
InChIKeySLNNGPFHVBPYHR-UHFFFAOYSA-N
XLogP2.54
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 144852829
4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
CID 144852837
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 118093906
ethyl 3-amino-2-(2,4-difluorophenoxy)benzoate
CID 115935561
4-[3-amino-2-(2,4-difluorophenoxy)-4-(2-morpholin-4-ylethylamino)phenyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-one
CID 123882775
3-(2,4-difluorophenoxy)pyrazin-2-amine
CID 102987748
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
CID 134512273
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 146524986
4-(2,4-difluorophenoxy)-1,3-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-2-one;molecular hydrogen
CID 144852859
5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 114073133

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one (CID 145261797) is 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one is CN1C=C(c2ccc(NN)c(N)c2Oc2ccc(F)cc2F)C2C=CNC2C1=O.
What is the InChIKey of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is SLNNGPFHVBPYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-27-9-13(11-6-7-25-18(11)20(27)28)12-3-4-15(26-24)17(23)19(12)29-16-5-2-10(21)8-14(16)22/h2-9,11,18,25-26H,23-24H2,1H3.
What are the key properties of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 399.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 145261797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).