3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol

C22H19FN6O2 — CID 135363443

IUPAC3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol
SMILESOCc1cnn2c(NCCc3c[nH]c4c(O)cccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O2/c23-16-6-14(8-24-11-16)18-7-20(29-22(28-18)15(12-30)10-27-29)25-5-4-13-9-26-21-17(13)2-1-3-19(21)31/h1-3,6-11,25-26,30-31H,4-5,12H2
InChIKeyWTXGACVQWWAPKD-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.26
Rot. Bonds6

About 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol

3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol (PubChem CID 135363443) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol
PubChem CID135363443
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol
SMILESOCc1cnn2c(NCCc3c[nH]c4c(O)cccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O2/c23-16-6-14(8-24-11-16)18-7-20(29-22(28-18)15(12-30)10-27-29)25-5-4-13-9-26-21-17(13)2-1-3-19(21)31/h1-3,6-11,25-26,30-31H,4-5,12H2
InChIKeyWTXGACVQWWAPKD-UHFFFAOYSA-N
XLogP3.26
TPSA111.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 136250327
6-((8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinolin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
The IUPAC name of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol (CID 135363443) is 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol.
What is the SMILES notation for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
The canonical SMILES for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol is OCc1cnn2c(NCCc3c[nH]c4c(O)cccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
The InChIKey is WTXGACVQWWAPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-16-6-14(8-24-11-16)18-7-20(29-22(28-18)15(12-30)10-27-29)25-5-4-13-9-26-21-17(13)2-1-3-19(21)31/h1-3,6-11,25-26,30-31H,4-5,12H2.
What are the key properties of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol has a molecular weight of 418.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol is sourced from PubChem (CID 135363443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).