7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine

C19H19FN2O — CID 87433038

IUPAC7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine
SMILESC#CCN1C(C)=C(C)C2=CC=CN(OCc3ccc(F)cc3)C21
InChIInChI=1S/C19H19FN2O/c1-4-11-21-15(3)14(2)18-6-5-12-22(19(18)21)23-13-16-7-9-17(20)10-8-16/h1,5-10,12,19H,11,13H2,2-3H3
InChIKeyHUIWGALMCVVILW-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.58
Rot. Bonds4

About 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine (PubChem CID 87433038) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine
PubChem CID87433038
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine
SMILESC#CCN1C(C)=C(C)C2=CC=CN(OCc3ccc(F)cc3)C21
InChIInChI=1S/C19H19FN2O/c1-4-11-21-15(3)14(2)18-6-5-12-22(19(18)21)23-13-16-7-9-17(20)10-8-16/h1,5-10,12,19H,11,13H2,2-3H3
InChIKeyHUIWGALMCVVILW-UHFFFAOYSA-N
XLogP3.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-3,5-bis(prop-2-ynyl)-1,3,5-triazinane
CID 141404835
(4-fluorophenyl)methoxy-trimethylsilane
CID 573272
(4-fluorophenyl)methyl acetate
CID 14793785
2-ethynyl-1-[(4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 19106438
(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine
CID 58684892
1-(but-3-ynoxymethyl)-4-methylbenzene
CID 15544024
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5005578
1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole
CID 58765046
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole
CID 142758293
1-ethyl-4-[(4-fluorophenyl)methoxy]-2-phenoxypyrrolidine
CID 67648645
(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1472536

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine (CID 87433038) is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine is C#CCN1C(C)=C(C)C2=CC=CN(OCc3ccc(F)cc3)C21.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine?
The InChIKey is HUIWGALMCVVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-4-11-21-15(3)14(2)18-6-5-12-22(19(18)21)23-13-16-7-9-17(20)10-8-16/h1,5-10,12,19H,11,13H2,2-3H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine?
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine has a molecular weight of 310.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-ynyl-7aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 87433038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).