[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol

C23H24N2O3 — CID 167556214

IUPAC[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol
SMILESCc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4)cc3C(O)O)C2)nc1
InChIInChI=1S/C23H24N2O3/c1-16-7-10-22(24-14-16)28-19-11-12-25(15-19)21-9-8-18(13-20(21)23(26)27)17-5-3-2-4-6-17/h2-10,13-14,19,23,26-27H,11-12,15H2,1H3/t19-/m0/s1
InChIKeyZFCFRWYFGCEDOV-IBGZPJMESA-N
MW376.46 g/mol
LogP3.70
Rot. Bonds5

About [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol

[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol (PubChem CID 167556214) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol.

Molecular Properties

Compound Name[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol
PubChem CID167556214
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol
SMILESCc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4)cc3C(O)O)C2)nc1
InChIInChI=1S/C23H24N2O3/c1-16-7-10-22(24-14-16)28-19-11-12-25(15-19)21-9-8-18(13-20(21)23(26)27)17-5-3-2-4-6-17/h2-10,13-14,19,23,26-27H,11-12,15H2,1H3/t19-/m0/s1
InChIKeyZFCFRWYFGCEDOV-IBGZPJMESA-N
XLogP3.70
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol 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

1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol
CID 170313406
5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine
CID 167682110
sodium;hydride;iodomethane;2-[(3R)-1-(2-methoxy-4-phenylphenyl)pyrrolidin-3-yl]oxy-5-methylpyridine;2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenol
CID 167601418
5-(2-chlorophenyl)-2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenol
CID 167557528
[5-(2-ethoxyphenyl)-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 167574448
[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
CID 156814945
[3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
CID 156814534
3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one
CID 167585567
N-methyl-5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]aniline
CID 175337456
[6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 156815636
ethyl 2-bromoacetate;ethyl 2-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenoxy]acetate;2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenol;2-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenoxy]ethanol
CID 167542012
[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol
CID 167577678

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol?
The IUPAC name of [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol (CID 167556214) is [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol.
What is the SMILES notation for [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol?
The canonical SMILES for [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol is Cc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4)cc3C(O)O)C2)nc1.
What is the InChIKey of [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol?
The InChIKey is ZFCFRWYFGCEDOV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-7-10-22(24-14-16)28-19-11-12-25(15-19)21-9-8-18(13-20(21)23(26)27)17-5-3-2-4-6-17/h2-10,13-14,19,23,26-27H,11-12,15H2,1H3/t19-/m0/s1.
What are the key properties of [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol?
[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol has a molecular weight of 376.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol is sourced from PubChem (CID 167556214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).