2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine

C21H13FN4O — CID 11952666

IUPAC2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2cc3cc(-c4ccncn4)c(-c4ccco4)nc3[nH]2)c1
InChIInChI=1S/C21H13FN4O/c22-15-4-1-3-13(9-15)18-11-14-10-16(17-6-7-23-12-24-17)20(26-21(14)25-18)19-5-2-8-27-19/h1-12H,(H,25,26)
InChIKeyKPRZKUXJBANUCK-UHFFFAOYSA-N
MW356.36 g/mol
LogP5.09
Rot. Bonds3

About 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine

2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11952666) has the molecular formula C21H13FN4O and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID11952666
Molecular FormulaC21H13FN4O
Molecular Weight356.36 g/mol
Exact Mass356.11
IUPAC Name2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2cc3cc(-c4ccncn4)c(-c4ccco4)nc3[nH]2)c1
InChIInChI=1S/C21H13FN4O/c22-15-4-1-3-13(9-15)18-11-14-10-16(17-6-7-23-12-24-17)20(26-21(14)25-18)19-5-2-8-27-19/h1-12H,(H,25,26)
InChIKeyKPRZKUXJBANUCK-UHFFFAOYSA-N
XLogP5.09
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

Las-38096
CID 11716665
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6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
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CID 66548458
Roscovitine derivative 1
CID 73353575
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
2-[[7-(Furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 661878
5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
CID 71581423
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
CID 134611728
6-(furan-2-yl)-5H-pyrrolo[2,3-b]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 11952666) is 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(-c2cc3cc(-c4ccncn4)c(-c4ccco4)nc3[nH]2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KPRZKUXJBANUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O/c22-15-4-1-3-13(9-15)18-11-14-10-16(17-6-7-23-12-24-17)20(26-21(14)25-18)19-5-2-8-27-19/h1-12H,(H,25,26).
What are the key properties of 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 356.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(furan-2-yl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11952666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).