[2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone

C23H25FN2O2 — CID 138381789

IUPAC[2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CC2CN(C3Cc4ccccc4C3)CC2(CO)C1
InChIInChI=1S/C23H25FN2O2/c24-20-7-5-16(6-8-20)22(28)26-12-19-11-25(13-23(19,14-26)15-27)21-9-17-3-1-2-4-18(17)10-21/h1-8,19,21,27H,9-15H2
InChIKeyNJBUYBBDBUJKOR-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.36
Rot. Bonds3

About [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone

[2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone (PubChem CID 138381789) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
PubChem CID138381789
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name[2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CC2CN(C3Cc4ccccc4C3)CC2(CO)C1
InChIInChI=1S/C23H25FN2O2/c24-20-7-5-16(6-8-20)22(28)26-12-19-11-25(13-23(19,14-26)15-27)21-9-17-3-1-2-4-18(17)10-21/h1-8,19,21,27H,9-15H2
InChIKeyNJBUYBBDBUJKOR-UHFFFAOYSA-N
XLogP2.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone 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

[(3aR,10aR)-10a-(hydroxymethyl)-3,3a,4,10-tetrahydro-1H-[1]benzoxepino[3,4-c]pyrrol-2-yl]-[4-(dimethylamino)phenyl]methanone
CID 133113493
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
[4-[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]piperidin-1-yl]-phenylmethanone
CID 137337654
[2-[[2-(difluoromethoxy)phenyl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 137338799
(3aS,6aS)-2-(2,3-dihydro-1H-inden-2-yl)-5-ethyl-6-oxo-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 70717135
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 87786267
[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
CID 137344750
[(3aR,6aR)-3a-(pyridin-2-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
CID 97421226
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
(3aR,6aR)-5-(1-benzoylpiperidin-4-yl)-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133118738

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone (CID 138381789) is [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CC2CN(C3Cc4ccccc4C3)CC2(CO)C1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is NJBUYBBDBUJKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-20-7-5-16(6-8-20)22(28)26-12-19-11-25(13-23(19,14-26)15-27)21-9-17-3-1-2-4-18(17)10-21/h1-8,19,21,27H,9-15H2.
What are the key properties of [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
[2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 380.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-2-yl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 138381789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).