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

C19H20FN5O2 — CID 46866428

IUPAC2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
SMILESC[C@H](Nc1cc(OCCO)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O2/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)/t13-/m0/s1
InChIKeyLWPASYMORFEOKT-ZDUSSCGKSA-N
MW369.40 g/mol
LogP3.30
Rot. Bonds8

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

2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol (PubChem CID 46866428) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
PubChem CID46866428
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
SMILESC[C@H](Nc1cc(OCCO)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O2/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)/t13-/m0/s1
InChIKeyLWPASYMORFEOKT-ZDUSSCGKSA-N
XLogP3.30
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.30
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 with MolForge

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Related Compounds

1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
CID 67008144
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
CID 46865922
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56837785
4-N-[2-(dimethylamino)ethyl]-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,4,6-triamine
CID 56600393
6-N-[1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 75236651
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-propyl-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
CID 46866024
[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-yl]methanol
CID 141271548
1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]-3-methylazetidin-3-ol
CID 67007064
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 67006832
2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 67006856
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide
CID 173466536

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?
The IUPAC name of 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol (CID 46866428) is 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol is C[C@H](Nc1cc(OCCO)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol?
The InChIKey is LWPASYMORFEOKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FN5O2/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)/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?
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol has a molecular weight of 369.40 g/mol, XLogP of 3.30, 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 is sourced from PubChem (CID 46866428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).