[2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

C24H28N2O2S — CID 138382211

IUPAC[2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCc1ccc(CN2CC3CN(Cc4ccc(-c5ccco5)cc4)CC3(CO)C2)s1
InChIInChI=1S/C24H28N2O2S/c1-18-4-9-22(29-18)14-26-13-21-12-25(15-24(21,16-26)17-27)11-19-5-7-20(8-6-19)23-3-2-10-28-23/h2-10,21,27H,11-17H2,1H3
InChIKeyWSFFMYVVJJMDBO-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.24
Rot. Bonds6

About [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

[2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 138382211) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID138382211
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name[2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCc1ccc(CN2CC3CN(Cc4ccc(-c5ccco5)cc4)CC3(CO)C2)s1
InChIInChI=1S/C24H28N2O2S/c1-18-4-9-22(29-18)14-26-13-21-12-25(15-24(21,16-26)17-27)11-19-5-7-20(8-6-19)23-3-2-10-28-23/h2-10,21,27H,11-17H2,1H3
InChIKeyWSFFMYVVJJMDBO-UHFFFAOYSA-N
XLogP4.24
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol 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

(2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol
CID 131676554
1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
CID 137342822
3-[[(3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420519
1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
CID 77091017
[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921711
3-[5-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]propanoic acid;formic acid
CID 171686535
(3aR,6aR)-2-(2-hydroxyethyl)-5-[(5-phenylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72839903
[5-[(2-chloro-6-methylphenyl)methyl]-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 137337256
2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 99109794
1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine
CID 3642631
[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 102547836

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 138382211) is [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is Cc1ccc(CN2CC3CN(Cc4ccc(-c5ccco5)cc4)CC3(CO)C2)s1.
What is the InChIKey of [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is WSFFMYVVJJMDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-18-4-9-22(29-18)14-26-13-21-12-25(15-24(21,16-26)17-27)11-19-5-7-20(8-6-19)23-3-2-10-28-23/h2-10,21,27H,11-17H2,1H3.
What are the key properties of [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 408.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 138382211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).