1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol

C22H25FN6O — CID 67007656

IUPAC1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol
SMILESCC(Nc1cc(N2CCC(O)CC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN6O/c1-15(16-2-4-17(23)5-3-16)26-20-12-18(29-10-6-19(30)7-11-29)13-21(27-20)28-22-14-24-8-9-25-22/h2-5,8-9,12-15,19,30H,6-7,10-11H2,1H3,(H2,25,26,27,28)
InChIKeyCXQCDZZRVLJCPA-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.89
Rot. Bonds6

About 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol

1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol (PubChem CID 67007656) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol
PubChem CID67007656
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol
SMILESCC(Nc1cc(N2CCC(O)CC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN6O/c1-15(16-2-4-17(23)5-3-16)26-20-12-18(29-10-6-19(30)7-11-29)13-21(27-20)28-22-14-24-8-9-25-22/h2-5,8-9,12-15,19,30H,6-7,10-11H2,1H3,(H2,25,26,27,28)
InChIKeyCXQCDZZRVLJCPA-UHFFFAOYSA-N
XLogP3.89
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-yl]piperidin-4-ol
CID 67007522
[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-yl]methanol
CID 141271548
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 70672027
3-cyclopropyl-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]azetidin-3-ol
CID 67008094
1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]-3-methylazetidin-3-ol
CID 67007064
1-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67007663
6-N-[1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 75236651
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
CID 67008144
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56837785
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
CID 46866428
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 167418725
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol (CID 67007656) is 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol is CC(Nc1cc(N2CCC(O)CC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol?
The InChIKey is CXQCDZZRVLJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-15(16-2-4-17(23)5-3-16)26-20-12-18(29-10-6-19(30)7-11-29)13-21(27-20)28-22-14-24-8-9-25-22/h2-5,8-9,12-15,19,30H,6-7,10-11H2,1H3,(H2,25,26,27,28).
What are the key properties of 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol?
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol has a molecular weight of 408.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 67007656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).