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

C18H18FN5O — CID 46865573

IUPAC[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol
SMILESC[C@H](Nc1cc(CO)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN5O/c1-12(14-2-4-15(19)5-3-14)22-16-8-13(11-25)9-17(23-16)24-18-10-20-6-7-21-18/h2-10,12,25H,11H2,1H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeyBFFVUOOCOOTDMA-LBPRGKRZSA-N
MW339.37 g/mol
LogP3.42
Rot. Bonds6

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

[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol (PubChem CID 46865573) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol
PubChem CID46865573
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol
SMILESC[C@H](Nc1cc(CO)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN5O/c1-12(14-2-4-15(19)5-3-14)22-16-8-13(11-25)9-17(23-16)24-18-10-20-6-7-21-18/h2-10,12,25H,11H2,1H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeyBFFVUOOCOOTDMA-LBPRGKRZSA-N
XLogP3.42
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol?
The IUPAC name of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol (CID 46865573) is [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol.
What is the SMILES notation for [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol?
The canonical SMILES for [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol is C[C@H](Nc1cc(CO)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol?
The InChIKey is BFFVUOOCOOTDMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12(14-2-4-15(19)5-3-14)22-16-8-13(11-25)9-17(23-16)24-18-10-20-6-7-21-18/h2-10,12,25H,11H2,1H3,(H2,21,22,23,24)/t12-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol?
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol has a molecular weight of 339.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]methanol is sourced from PubChem (CID 46865573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).