2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol

C19H22N6O2 — CID 92594224

IUPAC2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)ccc1O
InChIInChI=1S/C19H22N6O2/c1-27-18-11-14(7-8-17(18)26)12-24-10-4-5-15(24)13-25-22-19(21-23-25)16-6-2-3-9-20-16/h2-3,6-9,11,15,26H,4-5,10,12-13H2,1H3/t15-/m0/s1
InChIKeyWMKGVOXAEFZVEK-HNNXBMFYSA-N
MW366.43 g/mol
LogP2.11
Rot. Bonds6

About 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol

2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol (PubChem CID 92594224) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol
PubChem CID92594224
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)ccc1O
InChIInChI=1S/C19H22N6O2/c1-27-18-11-14(7-8-17(18)26)12-24-10-4-5-15(24)13-25-22-19(21-23-25)16-6-2-3-9-20-16/h2-3,6-9,11,15,26H,4-5,10,12-13H2,1H3/t15-/m0/s1
InChIKeyWMKGVOXAEFZVEK-HNNXBMFYSA-N
XLogP2.11
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol with MolForge

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Related Compounds

2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
CID 51493721
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol
CID 135950417
4-[[(2R)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]methyl]-2-methoxyphenol
CID 92598162
2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid
CID 99927710
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067754
4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136735376
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol (CID 92594224) is 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol is COc1cc(CN2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol?
The InChIKey is WMKGVOXAEFZVEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-18-11-14(7-8-17(18)26)12-24-10-4-5-15(24)13-25-22-19(21-23-25)16-6-2-3-9-20-16/h2-3,6-9,11,15,26H,4-5,10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol?
2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol has a molecular weight of 366.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 92594224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).