6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid

C19H18N6O3 — CID 122057122

IUPAC6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)n1
InChIInChI=1S/C19H18N6O3/c26-17(27)13-4-1-5-15(22-13)25-10-12-3-2-6-19(12,11-25)18-23-16(24-28-18)14-9-20-7-8-21-14/h1,4-5,7-9,12H,2-3,6,10-11H2,(H,26,27)/t12-,19-/m1/s1
InChIKeyMVYGVHICKIQIIO-CWTRNNRKSA-N
MW378.39 g/mol
LogP2.18
Rot. Bonds4

About 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid

6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid (PubChem CID 122057122) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid
PubChem CID122057122
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)n1
InChIInChI=1S/C19H18N6O3/c26-17(27)13-4-1-5-15(22-13)25-10-12-3-2-6-19(12,11-25)18-23-16(24-28-18)14-9-20-7-8-21-14/h1,4-5,7-9,12H,2-3,6,10-11H2,(H,26,27)/t12-,19-/m1/s1
InChIKeyMVYGVHICKIQIIO-CWTRNNRKSA-N
XLogP2.18
TPSA118.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-[(3aS,6aS)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128971328
(3aS,6aS)-N-ethyl-N-propan-2-yl-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 128980948
4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid
CID 154762917
5-[(3aS,6aS)-2-[3-(2-methylimidazol-1-yl)propyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128968025
1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
CID 128966010
3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 128966024
(2S)-1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpentan-1-one
CID 129324788
1-[(3aS,6aS)-3a-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dimethylpentan-1-one
CID 128970122
5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859061
1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-ethylbutan-1-one
CID 128968019
4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide
CID 167951502
4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine
CID 128966757

Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid (CID 122057122) is 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)n1.
What is the InChIKey of 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is MVYGVHICKIQIIO-CWTRNNRKSA-N. The full InChI is InChI=1S/C19H18N6O3/c26-17(27)13-4-1-5-15(22-13)25-10-12-3-2-6-19(12,11-25)18-23-16(24-28-18)14-9-20-7-8-21-14/h1,4-5,7-9,12H,2-3,6,10-11H2,(H,26,27)/t12-,19-/m1/s1.
What are the key properties of 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid?
6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 378.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).