(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen

C19H26N6O2 — CID 162249367

IUPAC(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(N4CC[C@@H](O)C4)cnc3C)o2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H22N6O2.2H2/c1-12-17(22-16(10-21-12)25-8-7-15(26)11-25)19-24-23-18(27-19)14-5-3-13(4-6-14)9-20-2;;/h3-6,10,15,20,26H,7-9,11H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyZXTWWZVFJASFDB-QCUBGVIVSA-N
MW370.46 g/mol
LogP2.28
Rot. Bonds5

About (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen

(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen (PubChem CID 162249367) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen.

Molecular Properties

Compound Name(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen
PubChem CID162249367
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(N4CC[C@@H](O)C4)cnc3C)o2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H22N6O2.2H2/c1-12-17(22-16(10-21-12)25-8-7-15(26)11-25)19-24-23-18(27-19)14-5-3-13(4-6-14)9-20-2;;/h3-6,10,15,20,26H,7-9,11H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyZXTWWZVFJASFDB-QCUBGVIVSA-N
XLogP2.28
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol
CID 123647625
1-[(2S)-4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propan-2-ylpiperazin-1-yl]propan-1-one;molecular hydrogen
CID 162175829
1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 159627603
1-[(2S)-4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propan-2-ylpiperazin-1-yl]propan-1-one
CID 162033773
5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 66744487
N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen
CID 162003585
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
CID 159144483
cyclopentyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]methanone;molecular hydrogen
CID 159001872
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 162010857
N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
CID 152850768
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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen?
The IUPAC name of (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen (CID 162249367) is (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen.
What is the SMILES notation for (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen?
The canonical SMILES for (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(N4CC[C@@H](O)C4)cnc3C)o2)cc1.[H][H].[H][H].
What is the InChIKey of (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen?
The InChIKey is ZXTWWZVFJASFDB-QCUBGVIVSA-N. The full InChI is InChI=1S/C19H22N6O2.2H2/c1-12-17(22-16(10-21-12)25-8-7-15(26)11-25)19-24-23-18(27-19)14-5-3-13(4-6-14)9-20-2;;/h3-6,10,15,20,26H,7-9,11H2,1-2H3;2*1H/t15-;;/m1../s1.
What are the key properties of (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen?
(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen has a molecular weight of 370.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen is sourced from PubChem (CID 162249367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).