[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol

C22H19FN6O — CID 135376685

IUPAC[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol
SMILESOCc1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O/c23-17-7-15(9-24-12-17)20-8-21(29-22(28-20)16(13-30)11-27-29)25-6-5-14-10-26-19-4-2-1-3-18(14)19/h1-4,7-12,25-26,30H,5-6,13H2
InChIKeyZOUXOZDYFVZBLC-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.56
Rot. Bonds6

About [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol

[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol (PubChem CID 135376685) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol.

Molecular Properties

Compound Name[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol
PubChem CID135376685
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol
SMILESOCc1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O/c23-17-7-15(9-24-12-17)20-8-21(29-22(28-20)16(13-30)11-27-29)25-6-5-14-10-26-19-4-2-1-3-18(14)19/h1-4,7-12,25-26,30H,5-6,13H2
InChIKeyZOUXOZDYFVZBLC-UHFFFAOYSA-N
XLogP3.56
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The IUPAC name of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol (CID 135376685) is [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol.
What is the SMILES notation for [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The canonical SMILES for [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol is OCc1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The InChIKey is ZOUXOZDYFVZBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-17-7-15(9-24-12-17)20-8-21(29-22(28-20)16(13-30)11-27-29)25-6-5-14-10-26-19-4-2-1-3-18(14)19/h1-4,7-12,25-26,30H,5-6,13H2.
What are the key properties of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol has a molecular weight of 402.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol is sourced from PubChem (CID 135376685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).