1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen

C24H28FN5O3S — CID 159361334

IUPAC1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)c(F)c4)cnc3C)o2)cc1.[H][H].[H][H]
InChIInChI=1S/C24H24FN5O3S.2H2/c1-14(2)34(31,32)21-10-9-18(11-19(21)25)20-13-27-15(3)22(28-20)24-30-29-23(33-24)17-7-5-16(6-8-17)12-26-4;;/h5-11,13-14,26H,12H2,1-4H3;2*1H
InChIKeyLIOQPJAYBIQDJJ-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.70
Rot. Bonds7

About 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen

1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen (PubChem CID 159361334) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
PubChem CID159361334
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)c(F)c4)cnc3C)o2)cc1.[H][H].[H][H]
InChIInChI=1S/C24H24FN5O3S.2H2/c1-14(2)34(31,32)21-10-9-18(11-19(21)25)20-13-27-15(3)22(28-20)24-30-29-23(33-24)17-7-5-16(6-8-17)12-26-4;;/h5-11,13-14,26H,12H2,1-4H3;2*1H
InChIKeyLIOQPJAYBIQDJJ-UHFFFAOYSA-N
XLogP4.70
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 158106761
1-[4-[5-[6-(3-chloro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N-methylmethanamine
CID 153221613
1-[4-[5-[6-[3-chloro-4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 161254830
N-methyl-1-[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-3-yl]methanamine;molecular hydrogen
CID 162140189
N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
CID 152850768
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
1-[3-chloro-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine
CID 157382119
1-[4-[5-[6-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylphenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 158306992
5-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-3-ethylphenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59472407
4-[4-[6-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]sulfinyl-2-methylpentan-2-ol;molecular hydrogen;hydrate
CID 162169656
1-[3-fluoro-4-[5-[3-methyl-6-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 160847327
[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 161228678

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?
The IUPAC name of 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen (CID 159361334) is 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen.
What is the SMILES notation for 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?
The canonical SMILES for 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)c(F)c4)cnc3C)o2)cc1.[H][H].[H][H].
What is the InChIKey of 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?
The InChIKey is LIOQPJAYBIQDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S.2H2/c1-14(2)34(31,32)21-10-9-18(11-19(21)25)20-13-27-15(3)22(28-20)24-30-29-23(33-24)17-7-5-16(6-8-17)12-26-4;;/h5-11,13-14,26H,12H2,1-4H3;2*1H.
What are the key properties of 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen?
1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen has a molecular weight of 485.59 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen is sourced from PubChem (CID 159361334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).