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

C23H21FN6O — CID 135376378

IUPAC(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESC[C@H](O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H21FN6O/c1-14(31)19-13-28-30-22(9-21(29-23(19)30)16-8-17(24)12-25-10-16)26-7-6-15-11-27-20-5-3-2-4-18(15)20/h2-5,8-14,26-27,31H,6-7H2,1H3/t14-/m0/s1
InChIKeyUYACFBYPRONVLB-AWEZNQCLSA-N
MW416.46 g/mol
LogP4.12
Rot. Bonds6

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

(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (PubChem CID 135376378) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
PubChem CID135376378
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESC[C@H](O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H21FN6O/c1-14(31)19-13-28-30-22(9-21(29-23(19)30)16-8-17(24)12-25-10-16)26-7-6-15-11-27-20-5-3-2-4-18(15)20/h2-5,8-14,26-27,31H,6-7H2,1H3/t14-/m0/s1
InChIKeyUYACFBYPRONVLB-AWEZNQCLSA-N
XLogP4.12
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (CID 135376378) is (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is C[C@H](O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The InChIKey is UYACFBYPRONVLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-14(31)19-13-28-30-22(9-21(29-23(19)30)16-8-17(24)12-25-10-16)26-7-6-15-11-27-20-5-3-2-4-18(15)20/h2-5,8-14,26-27,31H,6-7H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol has a molecular weight of 416.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 135376378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).