3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone

C21H21N5O2 — CID 171359273

IUPAC3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone
SMILESCc1noc(-c2ccc(-c3cccc(C(=O)N4CCC5CNCC54)c3)nc2)n1
InChIInChI=1S/C21H21N5O2/c1-13-24-20(28-25-13)17-5-6-18(23-11-17)14-3-2-4-15(9-14)21(27)26-8-7-16-10-22-12-19(16)26/h2-6,9,11,16,19,22H,7-8,10,12H2,1H3
InChIKeyCUJNLODNOWWCLP-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.54
Rot. Bonds3

About 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone

3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone (PubChem CID 171359273) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone
PubChem CID171359273
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone
SMILESCc1noc(-c2ccc(-c3cccc(C(=O)N4CCC5CNCC54)c3)nc2)n1
InChIInChI=1S/C21H21N5O2/c1-13-24-20(28-25-13)17-5-6-18(23-11-17)14-3-2-4-15(9-14)21(27)26-8-7-16-10-22-12-19(16)26/h2-6,9,11,16,19,22H,7-8,10,12H2,1H3
InChIKeyCUJNLODNOWWCLP-UHFFFAOYSA-N
XLogP2.54
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone (CID 171359273) is 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone is Cc1noc(-c2ccc(-c3cccc(C(=O)N4CCC5CNCC54)c3)nc2)n1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone?
The InChIKey is CUJNLODNOWWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-24-20(28-25-13)17-5-6-18(23-11-17)14-3-2-4-15(9-14)21(27)26-8-7-16-10-22-12-19(16)26/h2-6,9,11,16,19,22H,7-8,10,12H2,1H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone?
3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone has a molecular weight of 375.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]methanone is sourced from PubChem (CID 171359273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).