5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane

C20H22F2N2O — CID 144679020

IUPAC5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane
SMILESCC.COc1c(C2CCC2)ccc(-c2cnc3c(ccn3F)c2)c1F
InChIInChI=1S/C18H16F2N2O.C2H6/c1-23-17-15(11-3-2-4-11)6-5-14(16(17)19)13-9-12-7-8-22(20)18(12)21-10-13;1-2/h5-11H,2-4H2,1H3;1-2H3
InChIKeyULHVUCSNPMRGSZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.88
Rot. Bonds3

About 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane

5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane (PubChem CID 144679020) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane
PubChem CID144679020
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane
SMILESCC.COc1c(C2CCC2)ccc(-c2cnc3c(ccn3F)c2)c1F
InChIInChI=1S/C18H16F2N2O.C2H6/c1-23-17-15(11-3-2-4-11)6-5-14(16(17)19)13-9-12-7-8-22(20)18(12)21-10-13;1-2/h5-11H,2-4H2,1H3;1-2H3
InChIKeyULHVUCSNPMRGSZ-UHFFFAOYSA-N
XLogP5.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 90310668
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine
CID 90310686
5-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 90310759
6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
CID 90310811
3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine
CID 90310639
5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 151009318
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-4-methylpyrimidine
CID 174863197
2-(6-cyclohexyl-2-fluoro-3-pyrimidin-5-ylphenoxy)pyrimidine
CID 174863199
5-[4-cyclobutyl-2-fluoro-3-[5-(trifluoromethyl)pyrimidin-1-ium-2-yl]oxyphenyl]pyridin-2-amine
CID 151475050
azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine
CID 90319719
4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine
CID 90310859
4-[4-cyclobutyl-2-fluoro-3-(6-methoxypyrimidin-4-yl)oxyphenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 90310654

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane?
The IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane (CID 144679020) is 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane.
What is the SMILES notation for 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane?
The canonical SMILES for 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane is CC.COc1c(C2CCC2)ccc(-c2cnc3c(ccn3F)c2)c1F.
What is the InChIKey of 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane?
The InChIKey is ULHVUCSNPMRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O.C2H6/c1-23-17-15(11-3-2-4-11)6-5-14(16(17)19)13-9-12-7-8-22(20)18(12)21-10-13;1-2/h5-11H,2-4H2,1H3;1-2H3.
What are the key properties of 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane?
5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane has a molecular weight of 344.41 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutyl-2-fluoro-3-methoxyphenyl)-1-fluoropyrrolo[2,3-b]pyridine;ethane is sourced from PubChem (CID 144679020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).