[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol

C18H19N3O — CID 146761795

IUPAC[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(C2=NCc3ccccc32)ccn1
InChIInChI=1S/C18H19N3O/c22-12-15-5-3-9-21(15)17-10-13(7-8-19-17)18-16-6-2-1-4-14(16)11-20-18/h1-2,4,6-8,10,15,22H,3,5,9,11-12H2/t15-/m0/s1
InChIKeyRPOPAGZRVPOUQW-HNNXBMFYSA-N
MW293.37 g/mol
LogP2.39
Rot. Bonds3

About [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 146761795) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID146761795
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(C2=NCc3ccccc32)ccn1
InChIInChI=1S/C18H19N3O/c22-12-15-5-3-9-21(15)17-10-13(7-8-19-17)18-16-6-2-1-4-14(16)11-20-18/h1-2,4,6-8,10,15,22H,3,5,9,11-12H2/t15-/m0/s1
InChIKeyRPOPAGZRVPOUQW-HNNXBMFYSA-N
XLogP2.39
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-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

[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
3-(2-fluoro-4-pyridinyl)-1H-isoindole
CID 157451126
1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 159248411
4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 157123664
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine
CID 147824254
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124842088
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 146761795) is [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1cc(C2=NCc3ccccc32)ccn1.
What is the InChIKey of [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is RPOPAGZRVPOUQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-12-15-5-3-9-21(15)17-10-13(7-8-19-17)18-16-6-2-1-4-14(16)11-20-18/h1-2,4,6-8,10,15,22H,3,5,9,11-12H2/t15-/m0/s1.
What are the key properties of [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 293.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 146761795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).