[4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol

C22H22N6O2 — CID 59472146

IUPAC[4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol
SMILESCN(C)Cc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CO)cc4)o3)n2)cc1
InChIInChI=1S/C22H22N6O2/c1-28(2)12-14-3-7-16(8-4-14)18-11-24-20(23)19(25-18)22-27-26-21(30-22)17-9-5-15(13-29)6-10-17/h3-11,29H,12-13H2,1-2H3,(H2,23,24)
InChIKeyGRBJQDGEGPBCQV-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.00
Rot. Bonds6

About [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol

[4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol (PubChem CID 59472146) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol
PubChem CID59472146
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name[4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol
SMILESCN(C)Cc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CO)cc4)o3)n2)cc1
InChIInChI=1S/C22H22N6O2/c1-28(2)12-14-3-7-16(8-4-14)18-11-24-20(23)19(25-18)22-27-26-21(30-22)17-9-5-15(13-29)6-10-17/h3-11,29H,12-13H2,1-2H3,(H2,23,24)
InChIKeyGRBJQDGEGPBCQV-UHFFFAOYSA-N
XLogP3.00
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol (CID 59472146) is [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol is CN(C)Cc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CO)cc4)o3)n2)cc1.
What is the InChIKey of [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol?
The InChIKey is GRBJQDGEGPBCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-28(2)12-14-3-7-16(8-4-14)18-11-24-20(23)19(25-18)22-27-26-21(30-22)17-9-5-15(13-29)6-10-17/h3-11,29H,12-13H2,1-2H3,(H2,23,24).
What are the key properties of [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol?
[4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol has a molecular weight of 402.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol is sourced from PubChem (CID 59472146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).