1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride

C19H19ClFN5O — CID 67008144

IUPAC1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1cc(Nc2cnccn2)nc(NC(C)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C19H18FN5O.ClH/c1-12(14-3-5-16(20)6-4-14)23-17-9-15(13(2)26)10-18(24-17)25-19-11-21-7-8-22-19;/h3-12H,1-2H3,(H2,22,23,24,25);1H
InChIKeyKDCXMSXHVHLMHE-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.55
Rot. Bonds6

About 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride

1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride (PubChem CID 67008144) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
PubChem CID67008144
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1cc(Nc2cnccn2)nc(NC(C)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C19H18FN5O.ClH/c1-12(14-3-5-16(20)6-4-14)23-17-9-15(13(2)26)10-18(24-17)25-19-11-21-7-8-22-19;/h3-12H,1-2H3,(H2,22,23,24,25);1H
InChIKeyKDCXMSXHVHLMHE-UHFFFAOYSA-N
XLogP4.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
CID 46865922
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-propyl-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
CID 46866024
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyridine-4-carboximidoyl]formamide
CID 173466536
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
CID 46866428
1-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67007663
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
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56837785
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 70672027
6-N-[1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 75236651
2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid
CID 67007995
4-N-[2-(dimethylamino)ethyl]-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,4,6-triamine
CID 56600393

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride (CID 67008144) is 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride is CC(=O)c1cc(Nc2cnccn2)nc(NC(C)c2ccc(F)cc2)c1.Cl.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride?
The InChIKey is KDCXMSXHVHLMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O.ClH/c1-12(14-3-5-16(20)6-4-14)23-17-9-15(13(2)26)10-18(24-17)25-19-11-21-7-8-22-19;/h3-12H,1-2H3,(H2,22,23,24,25);1H.
What are the key properties of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride?
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride has a molecular weight of 387.85 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride is sourced from PubChem (CID 67008144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).