2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C24H21FN10O — CID 134694986

IUPAC2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C24H21FN10O/c1-14(19-6-15-5-16(17-9-28-33(2)12-17)8-26-21(15)7-20(19)25)35-24-23(31-32-35)27-11-22(30-24)18-10-29-34(13-18)3-4-36/h5-14,36H,3-4H2,1-2H3
InChIKeyVLBZFDFQVGAJSP-UHFFFAOYSA-N
MW484.50 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 134694986) has the molecular formula C24H21FN10O and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID134694986
Molecular FormulaC24H21FN10O
Molecular Weight484.50 g/mol
Exact Mass484.19
IUPAC Name2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C24H21FN10O/c1-14(19-6-15-5-16(17-9-28-33(2)12-17)8-26-21(15)7-20(19)25)35-24-23(31-32-35)27-11-22(30-24)18-10-29-34(13-18)3-4-36/h5-14,36H,3-4H2,1-2H3
InChIKeyVLBZFDFQVGAJSP-UHFFFAOYSA-N
XLogP2.77
TPSA125.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 134694986) is 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21.
What is the InChIKey of 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is VLBZFDFQVGAJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN10O/c1-14(19-6-15-5-16(17-9-28-33(2)12-17)8-26-21(15)7-20(19)25)35-24-23(31-32-35)27-11-22(30-24)18-10-29-34(13-18)3-4-36/h5-14,36H,3-4H2,1-2H3.
What are the key properties of 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 484.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 134694986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).