4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine

C20H19F2N3O2 — CID 166623324

IUPAC4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
SMILESCOc1cc(F)c(-c2nccn2[C@@H]2COC[C@@H]2Cc2ccncc2)c(F)c1
InChIInChI=1S/C20H19F2N3O2/c1-26-15-9-16(21)19(17(22)10-15)20-24-6-7-25(20)18-12-27-11-14(18)8-13-2-4-23-5-3-13/h2-7,9-10,14,18H,8,11-12H2,1H3/t14-,18+/m0/s1
InChIKeyNRUJQPBYNZONPP-KBXCAEBGSA-N
MW371.39 g/mol
LogP3.66
Rot. Bonds5

About 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine

4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine (PubChem CID 166623324) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
PubChem CID166623324
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
SMILESCOc1cc(F)c(-c2nccn2[C@@H]2COC[C@@H]2Cc2ccncc2)c(F)c1
InChIInChI=1S/C20H19F2N3O2/c1-26-15-9-16(21)19(17(22)10-15)20-24-6-7-25(20)18-12-27-11-14(18)8-13-2-4-23-5-3-13/h2-7,9-10,14,18H,8,11-12H2,1H3/t14-,18+/m0/s1
InChIKeyNRUJQPBYNZONPP-KBXCAEBGSA-N
XLogP3.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine 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-[[(3S,4S)-4-[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623160
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170512463
2,6-dimethoxy-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166612194
2-methoxy-4-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620963
2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620172
4-[[(3S,4S)-4-[2-(4-chloro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170513336
6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one
CID 169414438
formic acid;4-[[(3S,4S)-4-[2-(4-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 171708775
4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166618531
3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 170511440
5,7-dimethyl-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166620296
N,N-dimethyl-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]aniline;formic acid
CID 171711936

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The IUPAC name of 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine (CID 166623324) is 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine is COc1cc(F)c(-c2nccn2[C@@H]2COC[C@@H]2Cc2ccncc2)c(F)c1.
What is the InChIKey of 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
The InChIKey is NRUJQPBYNZONPP-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-26-15-9-16(21)19(17(22)10-15)20-24-6-7-25(20)18-12-27-11-14(18)8-13-2-4-23-5-3-13/h2-7,9-10,14,18H,8,11-12H2,1H3/t14-,18+/m0/s1.
What are the key properties of 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine?
4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine has a molecular weight of 371.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine is sourced from PubChem (CID 166623324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).