4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol

C21H26FN3O — CID 46961104

IUPAC4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
SMILESCCCc1ncc(CN2CC3CCC(O)(c4ccc(F)cc4)C3C2)cn1
InChIInChI=1S/C21H26FN3O/c1-2-3-20-23-10-15(11-24-20)12-25-13-16-8-9-21(26,19(16)14-25)17-4-6-18(22)7-5-17/h4-7,10-11,16,19,26H,2-3,8-9,12-14H2,1H3
InChIKeyGEXWTZQTUQRLQY-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.30
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol

4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol (PubChem CID 46961104) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
PubChem CID46961104
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
SMILESCCCc1ncc(CN2CC3CCC(O)(c4ccc(F)cc4)C3C2)cn1
InChIInChI=1S/C21H26FN3O/c1-2-3-20-23-10-15(11-24-20)12-25-13-16-8-9-21(26,19(16)14-25)17-4-6-18(22)7-5-17/h4-7,10-11,16,19,26H,2-3,8-9,12-14H2,1H3
InChIKeyGEXWTZQTUQRLQY-UHFFFAOYSA-N
XLogP3.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol 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

4-(4-fluorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 46961088
(3aR,4S,6aR)-4-(4-fluorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 124798596
4-(4-fluorophenyl)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 46961090
9-(4-methoxyphenyl)-3-[(2-propylpyrimidin-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 16673924
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 171667355
2-benzyl-4-[6-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 69113967
N-[4-(4-fluorophenyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-4-yl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171700612
(3aS,4S,6aR)-2-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4-(5-methyl-2-pyridinyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 95852224
2-benzyl-4-[5-[2-(2,3-dihydropyrrol-1-yl)ethyl]-2-pyridinyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 163996941
2-propyl-5-[[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 42148205
N-[4-[[(3aS,7R,7aS)-7-(3-fluorophenyl)-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]methyl]phenyl]acetamide
CID 95801381
(3aS,4S,6aR)-2-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 92598050

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol (CID 46961104) is 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol is CCCc1ncc(CN2CC3CCC(O)(c4ccc(F)cc4)C3C2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
The InChIKey is GEXWTZQTUQRLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-3-20-23-10-15(11-24-20)12-25-13-16-8-9-21(26,19(16)14-25)17-4-6-18(22)7-5-17/h4-7,10-11,16,19,26H,2-3,8-9,12-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol?
4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol has a molecular weight of 355.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(2-propylpyrimidin-5-yl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 46961104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).