2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol

C23H21FN6O2 — CID 146591921

IUPAC2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol
SMILESC[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1
InChIInChI=1S/C23H21FN6O2/c1-14(32-22-11-15-9-17(24)3-4-19(15)28-23(22)25)18-12-20-16(13-27-30(20)7-8-31)10-21(18)29-6-2-5-26-29/h2-6,9-14,31H,7-8H2,1H3,(H2,25,28)/t14-/m0/s1
InChIKeyZXOSHSVTNRQZDY-AWEZNQCLSA-N
MW432.46 g/mol
LogP3.62
Rot. Bonds6

About 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol

2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol (PubChem CID 146591921) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol
PubChem CID146591921
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol
SMILESC[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1
InChIInChI=1S/C23H21FN6O2/c1-14(32-22-11-15-9-17(24)3-4-19(15)28-23(22)25)18-12-20-16(13-27-30(20)7-8-31)10-21(18)29-6-2-5-26-29/h2-6,9-14,31H,7-8H2,1H3,(H2,25,28)/t14-/m0/s1
InChIKeyZXOSHSVTNRQZDY-AWEZNQCLSA-N
XLogP3.62
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?
The IUPAC name of 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol (CID 146591921) is 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?
The canonical SMILES for 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol is C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1.
What is the InChIKey of 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?
The InChIKey is ZXOSHSVTNRQZDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-14(32-22-11-15-9-17(24)3-4-19(15)28-23(22)25)18-12-20-16(13-27-30(20)7-8-31)10-21(18)29-6-2-5-26-29/h2-6,9-14,31H,7-8H2,1H3,(H2,25,28)/t14-/m0/s1.
What are the key properties of 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol?
2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol has a molecular weight of 432.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol is sourced from PubChem (CID 146591921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).