2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride

C19H21ClFN5O2 — CID 56603080

IUPAC2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride
SMILESC[C@H](Nc1cc(OCCO)cc(Nc2cnccn2)n1)c1ccc(F)cc1.Cl
InChIInChI=1S/C19H20FN5O2.ClH/c1-13(14-2-4-15(20)5-3-14)23-17-10-16(27-9-8-26)11-18(24-17)25-19-12-21-6-7-22-19;/h2-7,10-13,26H,8-9H2,1H3,(H2,22,23,24,25);1H/t13-;/m0./s1
InChIKeyMXVMXVUBFXZCRW-ZOWNYOTGSA-N
MW405.86 g/mol
LogP3.72
Rot. Bonds8

About 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride

2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride (PubChem CID 56603080) has the molecular formula C19H21ClFN5O2 and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride
PubChem CID56603080
Molecular FormulaC19H21ClFN5O2
Molecular Weight405.86 g/mol
Exact Mass405.14
IUPAC Name2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride
SMILESC[C@H](Nc1cc(OCCO)cc(Nc2cnccn2)n1)c1ccc(F)cc1.Cl
InChIInChI=1S/C19H20FN5O2.ClH/c1-13(14-2-4-15(20)5-3-14)23-17-10-16(27-9-8-26)11-18(24-17)25-19-12-21-6-7-22-19;/h2-7,10-13,26H,8-9H2,1H3,(H2,22,23,24,25);1H/t13-;/m0./s1
InChIKeyMXVMXVUBFXZCRW-ZOWNYOTGSA-N
XLogP3.72
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride 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 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride?
The IUPAC name of 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride (CID 56603080) is 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride is C[C@H](Nc1cc(OCCO)cc(Nc2cnccn2)n1)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride?
The InChIKey is MXVMXVUBFXZCRW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H20FN5O2.ClH/c1-13(14-2-4-15(20)5-3-14)23-17-10-16(27-9-8-26)11-18(24-17)25-19-12-21-6-7-22-19;/h2-7,10-13,26H,8-9H2,1H3,(H2,22,23,24,25);1H/t13-;/m0./s1.
What are the key properties of 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride?
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride has a molecular weight of 405.86 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol;hydrochloride is sourced from PubChem (CID 56603080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).