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

C22H19FN6O2 — CID 135376605

IUPAC(1S)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol
SMILESOCc1cnn2c(NC[C@@H](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/t20-/m1/s1
InChIKeyNNPGYHWIHZCRKA-HXUWFJFHSA-N
MW418.43 g/mol
LogP3.05
Rot. Bonds6

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

(1S)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol (PubChem CID 135376605) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is (1S)-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 Name(1S)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol
PubChem CID135376605
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name(1S)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol
SMILESOCc1cnn2c(NC[C@@H](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/t20-/m1/s1
InChIKeyNNPGYHWIHZCRKA-HXUWFJFHSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-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 (1S)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol (CID 135376605) is (1S)-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 (1S)-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 (1S)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol is OCc1cnn2c(NC[C@@H](O)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of (1S)-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-HXUWFJFHSA-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/t20-/m1/s1.
What are the key properties of (1S)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol?
(1S)-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 (1S)-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 135376605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).