3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine

C21H19FN4 — CID 25101367

IUPAC3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
SMILESNCCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H19FN4/c22-17-6-4-15(5-7-17)19-20-18(3-1-11-25-20)26(14-2-10-23)21(19)16-8-12-24-13-9-16/h1,3-9,11-13H,2,10,14,23H2
InChIKeyGHQRTQPJCOCOIA-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.25
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine

3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine (PubChem CID 25101367) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
PubChem CID25101367
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC Name3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
SMILESNCCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H19FN4/c22-17-6-4-15(5-7-17)19-20-18(3-1-11-25-20)26(14-2-10-23)21(19)16-8-12-24-13-9-16/h1,3-9,11-13H,2,10,14,23H2
InChIKeyGHQRTQPJCOCOIA-UHFFFAOYSA-N
XLogP4.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
CID 56946930
methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
CID 25101812
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-(3-fluorophenyl)-1-methyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101059
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101816
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
CID 22953896
3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine
CID 90930401
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
3-(4-chlorophenyl)-1-(1,1-difluorobuta-1,3-dien-2-yl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25100744

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine (CID 25101367) is 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine is NCCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
The InChIKey is GHQRTQPJCOCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4/c22-17-6-4-15(5-7-17)19-20-18(3-1-11-25-20)26(14-2-10-23)21(19)16-8-12-24-13-9-16/h1,3-9,11-13H,2,10,14,23H2.
What are the key properties of 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine?
3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine has a molecular weight of 346.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 25101367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).