[3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol

C22H18N4O2 — CID 59374074

IUPAC[3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H18N4O2/c27-15-16-4-3-5-17(14-16)21-22(25-13-12-24-21)28-19-9-7-18(8-10-19)26-20-6-1-2-11-23-20/h1-14,27H,15H2,(H,23,26)
InChIKeyOAFYTJIKNKPOSC-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.57
Rot. Bonds6

About [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol

[3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol (PubChem CID 59374074) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol
PubChem CID59374074
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name[3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H18N4O2/c27-15-16-4-3-5-17(14-16)21-22(25-13-12-24-21)28-19-9-7-18(8-10-19)26-20-6-1-2-11-23-20/h1-14,27H,15H2,(H,23,26)
InChIKeyOAFYTJIKNKPOSC-UHFFFAOYSA-N
XLogP4.57
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol (CID 59374074) is [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol is OCc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1.
What is the InChIKey of [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol?
The InChIKey is OAFYTJIKNKPOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-15-16-4-3-5-17(14-16)21-22(25-13-12-24-21)28-19-9-7-18(8-10-19)26-20-6-1-2-11-23-20/h1-14,27H,15H2,(H,23,26).
What are the key properties of [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol?
[3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol has a molecular weight of 370.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 59374074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).