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

C22H19FN6O2 — CID 135363118

IUPAC2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol
SMILESOCc1cnn2c(NCC(O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O2/c23-15-5-13(7-24-9-15)19-6-21(29-22(28-19)14(12-30)8-27-29)26-11-20(31)17-10-25-18-4-2-1-3-16(17)18/h1-10,20,25-26,30-31H,11-12H2
InChIKeyNNPGYHWIHZCRKA-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.05
Rot. Bonds6

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

2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol (PubChem CID 135363118) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol
PubChem CID135363118
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol
SMILESOCc1cnn2c(NCC(O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O2/c23-15-5-13(7-24-9-15)19-6-21(29-22(28-19)14(12-30)8-27-29)26-11-20(31)17-10-25-18-4-2-1-3-16(17)18/h1-10,20,25-26,30-31H,11-12H2
InChIKeyNNPGYHWIHZCRKA-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol?
The IUPAC name of 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol (CID 135363118) is 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol?
The canonical SMILES for 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol is OCc1cnn2c(NCC(O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol?
The InChIKey is NNPGYHWIHZCRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-15-5-13(7-24-9-15)19-6-21(29-22(28-19)14(12-30)8-27-29)26-11-20(31)17-10-25-18-4-2-1-3-16(17)18/h1-10,20,25-26,30-31H,11-12H2.
What are the key properties of 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol?
2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol has a molecular weight of 418.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 135363118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).