4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C19H15F2N5O2 — CID 144852837

IUPAC4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESNNc1ccc(-c2c[nH]c(=O)c3[nH]ccc23)c(Oc2ccc(F)cc2F)c1N
InChIInChI=1S/C19H15F2N5O2/c20-9-1-4-15(13(21)7-9)28-18-11(2-3-14(26-23)16(18)22)12-8-25-19(27)17-10(12)5-6-24-17/h1-8,24,26H,22-23H2,(H,25,27)
InChIKeyHIXCDIQXUYEYEC-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.46
Rot. Bonds4

About 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 144852837) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID144852837
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESNNc1ccc(-c2c[nH]c(=O)c3[nH]ccc23)c(Oc2ccc(F)cc2F)c1N
InChIInChI=1S/C19H15F2N5O2/c20-9-1-4-15(13(21)7-9)28-18-11(2-3-14(26-23)16(18)22)12-8-25-19(27)17-10(12)5-6-24-17/h1-8,24,26H,22-23H2,(H,25,27)
InChIKeyHIXCDIQXUYEYEC-UHFFFAOYSA-N
XLogP3.46
TPSA121.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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]-6-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
CID 145261797
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
4-[4-(2,4-difluorophenoxy)-1-methyl-2,3-dihydrobenzotriazol-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 118132045
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417
4-[2-(2,4-difluorophenoxy)-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226795
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
5-(2,4-difluorophenoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one
CID 118093648
4-[2-(2,4-difluorophenoxy)-5-(propan-2-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226794
4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 159598806
4-(2,4-difluorophenoxy)-6-methoxy-1H-indole
CID 167433327
N-(2,4-difluorophenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110863623

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 144852837) is 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is NNc1ccc(-c2c[nH]c(=O)c3[nH]ccc23)c(Oc2ccc(F)cc2F)c1N.
What is the InChIKey of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is HIXCDIQXUYEYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c20-9-1-4-15(13(21)7-9)28-18-11(2-3-14(26-23)16(18)22)12-8-25-19(27)17-10(12)5-6-24-17/h1-8,24,26H,22-23H2,(H,25,27).
What are the key properties of 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 383.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 144852837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).