2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine

C26H22ClF2N3O2 — CID 175186076

IUPAC2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine
SMILESFc1cc(Cl)ccc1COc1cccc(-c2ccc(Cc3nccn3C[C@@H]3CCO3)c(F)c2)n1
InChIInChI=1S/C26H22ClF2N3O2/c27-20-7-6-19(23(29)14-20)16-34-26-3-1-2-24(31-26)18-5-4-17(22(28)12-18)13-25-30-9-10-32(25)15-21-8-11-33-21/h1-7,9-10,12,14,21H,8,11,13,15-16H2/t21-/m0/s1
InChIKeyXKBRNENKCCLUBN-NRFANRHFSA-N
MW481.93 g/mol
LogP5.84
Rot. Bonds8

About 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine

2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine (PubChem CID 175186076) has the molecular formula C26H22ClF2N3O2 and a molecular weight of 481.93 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine
PubChem CID175186076
Molecular FormulaC26H22ClF2N3O2
Molecular Weight481.93 g/mol
Exact Mass481.14
IUPAC Name2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine
SMILESFc1cc(Cl)ccc1COc1cccc(-c2ccc(Cc3nccn3C[C@@H]3CCO3)c(F)c2)n1
InChIInChI=1S/C26H22ClF2N3O2/c27-20-7-6-19(23(29)14-20)16-34-26-3-1-2-24(31-26)18-5-4-17(22(28)12-18)13-25-30-9-10-32(25)15-21-8-11-33-21/h1-7,9-10,12,14,21H,8,11,13,15-16H2/t21-/m0/s1
InChIKeyXKBRNENKCCLUBN-NRFANRHFSA-N
XLogP5.84
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.93
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-pyridinyl]oxymethyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 166715616
2-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-pyridinyl]ethyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 166715682
5-[5-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazol-3-one
CID 178143822
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-5-(1-methylpyrazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole
CID 167010506
methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 156856845
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid
CID 164544897
2-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]pyrazol-1-yl]ethyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 166715684
4-[[6-[4-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]-3-fluorophenyl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 160914664
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3-difluorophenyl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 155190761
5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole
CID 175576503
2-[[2-fluoro-4-[6-[(2-methyl-1,3-benzoxazol-7-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 177129208
2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-4-yl]-2-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 155190742

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine (CID 175186076) is 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine is Fc1cc(Cl)ccc1COc1cccc(-c2ccc(Cc3nccn3C[C@@H]3CCO3)c(F)c2)n1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine?
The InChIKey is XKBRNENKCCLUBN-NRFANRHFSA-N. The full InChI is InChI=1S/C26H22ClF2N3O2/c27-20-7-6-19(23(29)14-20)16-34-26-3-1-2-24(31-26)18-5-4-17(22(28)12-18)13-25-30-9-10-32(25)15-21-8-11-33-21/h1-7,9-10,12,14,21H,8,11,13,15-16H2/t21-/m0/s1.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine?
2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine has a molecular weight of 481.93 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methoxy]-6-[3-fluoro-4-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]phenyl]pyridine is sourced from PubChem (CID 175186076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).