3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

C22H16FN3 — CID 25101816

IUPAC3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESC#CCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2nc(C)ccc21
InChIInChI=1S/C22H16FN3/c1-3-14-26-19-9-4-15(2)25-21(19)20(16-5-7-18(23)8-6-16)22(26)17-10-12-24-13-11-17/h1,4-13H,14H2,2H3
InChIKeyUNZBRBBHURDNFG-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.85
Rot. Bonds3

About 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 25101816) has the molecular formula C22H16FN3 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID25101816
Molecular FormulaC22H16FN3
Molecular Weight341.39 g/mol
Exact Mass341.13
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESC#CCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2nc(C)ccc21
InChIInChI=1S/C22H16FN3/c1-3-14-26-19-9-4-15(2)25-21(19)20(16-5-7-18(23)8-6-16)22(26)17-10-12-24-13-11-17/h1,4-13H,14H2,2H3
InChIKeyUNZBRBBHURDNFG-UHFFFAOYSA-N
XLogP4.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.85
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

3-(4-fluorophenyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 11014525
3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
CID 25101367
methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
CID 25101812
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
CID 56946930
5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 22037299
1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25100450
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 23647186
3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
CID 146012376
4-chloro-2-(4-fluorophenyl)-1,7-dimethyl-3-pyridin-4-ylpyrrolo[2,3-d]pyridazine;3-[2-(4-fluorophenyl)-1,7-dimethyl-3-pyridin-4-ylpyrrolo[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol;prop-2-yn-1-ol
CID 159380384
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
CID 174281142
3-(3-fluorophenyl)-1-methyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101059

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 25101816) is 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is C#CCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2nc(C)ccc21.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is UNZBRBBHURDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3/c1-3-14-26-19-9-4-15(2)25-21(19)20(16-5-7-18(23)8-6-16)22(26)17-10-12-24-13-11-17/h1,4-13H,14H2,2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 341.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25101816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).