2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol

C23H23FN6O2 — CID 135270415

IUPAC2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol
SMILESCc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)CO)cc4F)o3)n2)cc1
InChIInChI=1S/C23H23FN6O2/c1-13-3-6-16(7-4-13)19-11-27-21(25)20(28-19)23-30-29-22(32-23)17-8-5-15(9-18(17)24)10-26-14(2)12-31/h3-9,11,14,26,31H,10,12H2,1-2H3,(H2,25,27)
InChIKeyJROPXMASJWMKGE-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.36
Rot. Bonds7

About 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol

2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol (PubChem CID 135270415) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol
PubChem CID135270415
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol
SMILESCc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)CO)cc4F)o3)n2)cc1
InChIInChI=1S/C23H23FN6O2/c1-13-3-6-16(7-4-13)19-11-27-21(25)20(28-19)23-30-29-22(32-23)17-8-5-15(9-18(17)24)10-26-14(2)12-31/h3-9,11,14,26,31H,10,12H2,1-2H3,(H2,25,27)
InChIKeyJROPXMASJWMKGE-UHFFFAOYSA-N
XLogP3.36
TPSA122.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol
CID 59472300
3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)pyrazin-2-amine
CID 135270347
5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471877
3-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxan-4-ylsulfanyl)phenyl]pyrazin-2-amine
CID 135270057
5-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]phenyl]-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 157359476
3-[4-[5-amino-6-[5-[2-fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfanylbutan-1-ol
CID 135270368
3-[5-[2-fluoro-4-[[(3-methyloxiran-2-yl)amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 141472952
5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471933
5-(3-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59472380
3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472024
3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
CID 135270056
3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine
CID 159128765

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol?
The IUPAC name of 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol (CID 135270415) is 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol is Cc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)CO)cc4F)o3)n2)cc1.
What is the InChIKey of 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol?
The InChIKey is JROPXMASJWMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-13-3-6-16(7-4-13)19-11-27-21(25)20(28-19)23-30-29-22(32-23)17-8-5-15(9-18(17)24)10-26-14(2)12-31/h3-9,11,14,26,31H,10,12H2,1-2H3,(H2,25,27).
What are the key properties of 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol?
2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol has a molecular weight of 434.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol is sourced from PubChem (CID 135270415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).