[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

C24H26N6O2 — CID 67116583

IUPAC[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c5c(n4)CCC5)CC3C2)n1
InChIInChI=1S/C24H26N6O2/c1-14-18-8-5-9-21(18)27-24(25-14)30-12-16-10-29(11-17(16)13-30)23(31)20-7-4-3-6-19(20)22-26-15(2)28-32-22/h3-4,6-7,16-17H,5,8-13H2,1-2H3
InChIKeyKWUIJSNANKEMLK-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.84
Rot. Bonds3

About [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 67116583) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID67116583
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c5c(n4)CCC5)CC3C2)n1
InChIInChI=1S/C24H26N6O2/c1-14-18-8-5-9-21(18)27-24(25-14)30-12-16-10-29(11-17(16)13-30)23(31)20-7-4-3-6-19(20)22-26-15(2)28-32-22/h3-4,6-7,16-17H,5,8-13H2,1-2H3
InChIKeyKWUIJSNANKEMLK-UHFFFAOYSA-N
XLogP2.84
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 67116583) is [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c5c(n4)CCC5)CC3C2)n1.
What is the InChIKey of [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is KWUIJSNANKEMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-18-8-5-9-21(18)27-24(25-14)30-12-16-10-29(11-17(16)13-30)23(31)20-7-4-3-6-19(20)22-26-15(2)28-32-22/h3-4,6-7,16-17H,5,8-13H2,1-2H3.
What are the key properties of [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 430.51 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 67116583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).