3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol

C20H20N2OS — CID 95127637

IUPAC3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc([C@H]3CCN(Cc4ccsc4)C3)ccn2)c1
InChIInChI=1S/C20H20N2OS/c23-19-3-1-2-17(10-19)20-11-16(4-7-21-20)18-5-8-22(13-18)12-15-6-9-24-14-15/h1-4,6-7,9-11,14,18,23H,5,8,12-13H2/t18-/m0/s1
InChIKeyQKFWXWWISTWKHD-SFHVURJKSA-N
MW336.46 g/mol
LogP4.51
Rot. Bonds4

About 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol

3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol (PubChem CID 95127637) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
PubChem CID95127637
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc([C@H]3CCN(Cc4ccsc4)C3)ccn2)c1
InChIInChI=1S/C20H20N2OS/c23-19-3-1-2-17(10-19)20-11-16(4-7-21-20)18-5-8-22(13-18)12-15-6-9-24-14-15/h1-4,6-7,9-11,14,18,23H,5,8,12-13H2/t18-/m0/s1
InChIKeyQKFWXWWISTWKHD-SFHVURJKSA-N
XLogP4.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol 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

3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95147375
3-[4-[1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 50975781
1-[3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenyl]ethanone
CID 50963042
2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid
CID 95135293
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 95869700
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline
CID 50948130
2-[[(3S)-3-[2-(3-methoxyphenyl)-4-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 95125885
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
CID 95131742
2-pyridin-4-yl-4-[(3S)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]pyridine
CID 95119958
[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 50963081

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol?
The IUPAC name of 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol (CID 95127637) is 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol is Oc1cccc(-c2cc([C@H]3CCN(Cc4ccsc4)C3)ccn2)c1.
What is the InChIKey of 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol?
The InChIKey is QKFWXWWISTWKHD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2OS/c23-19-3-1-2-17(10-19)20-11-16(4-7-21-20)18-5-8-22(13-18)12-15-6-9-24-14-15/h1-4,6-7,9-11,14,18,23H,5,8,12-13H2/t18-/m0/s1.
What are the key properties of 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol?
3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol has a molecular weight of 336.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 95127637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).