[2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite

C25H21ClF4N6O3 — CID 167010430

IUPAC[2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite
SMILESFc1ccc(C2=CCN(Cc3nc4cc(-c5noc(C(F)(F)F)n5)cnc4n3C[C@@H]3CCO3)CC2)cc1OCl
InChIInChI=1S/C25H21ClF4N6O3/c26-38-20-10-15(1-2-18(20)27)14-3-6-35(7-4-14)13-21-32-19-9-16(22-33-24(39-34-22)25(28,29)30)11-31-23(19)36(21)12-17-5-8-37-17/h1-3,9-11,17H,4-8,12-13H2/t17-/m0/s1
InChIKeyRZKBFSGFNZOULZ-KRWDZBQOSA-N
MW564.93 g/mol
LogP5.25
Rot. Bonds7

About [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite

[2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite (PubChem CID 167010430) has the molecular formula C25H21ClF4N6O3 and a molecular weight of 564.93 g/mol. Its IUPAC name is [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite.

Molecular Properties

Compound Name[2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite
PubChem CID167010430
Molecular FormulaC25H21ClF4N6O3
Molecular Weight564.93 g/mol
Exact Mass564.13
IUPAC Name[2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite
SMILESFc1ccc(C2=CCN(Cc3nc4cc(-c5noc(C(F)(F)F)n5)cnc4n3C[C@@H]3CCO3)CC2)cc1OCl
InChIInChI=1S/C25H21ClF4N6O3/c26-38-20-10-15(1-2-18(20)27)14-3-6-35(7-4-14)13-21-32-19-9-16(22-33-24(39-34-22)25(28,29)30)11-31-23(19)36(21)12-17-5-8-37-17/h1-3,9-11,17H,4-8,12-13H2/t17-/m0/s1
InChIKeyRZKBFSGFNZOULZ-KRWDZBQOSA-N
XLogP5.25
TPSA91.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.93
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite with MolForge

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Related Compounds

2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
CID 167010433
3-[2-(chloromethyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 169090696
2-[[4-[3-[(Z)-2-ethenyl-3-fluorobut-2-enoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 177260095
N'-[2-[2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-2,2,2-trifluoro-N-(methylideneamino)ethanimidamide
CID 167010150
methyl 2-[[4-[4-fluoro-3-[(1-methylindazol-5-yl)methoxy]phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 167021063
2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine
CID 175953217
3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175953173
2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
CID 167010352
2-[[4-[[6-[(4-chlorophenyl)methyl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
CID 167002791
2-[[(2S)-4-[4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoropyrimidin-2-yl]-2-methylpiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
CID 169090553
2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]-5-(2H-tetrazol-5-yl)benzimidazole
CID 167011143
3-[2-[[4-[2-(5-chloro-2-pyridinyl)-2-methyl-1,3-benzodioxol-4-yl]piperidin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 169090423

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite?
The IUPAC name of [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite (CID 167010430) is [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite.
What is the SMILES notation for [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite?
The canonical SMILES for [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite is Fc1ccc(C2=CCN(Cc3nc4cc(-c5noc(C(F)(F)F)n5)cnc4n3C[C@@H]3CCO3)CC2)cc1OCl.
What is the InChIKey of [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite?
The InChIKey is RZKBFSGFNZOULZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H21ClF4N6O3/c26-38-20-10-15(1-2-18(20)27)14-3-6-35(7-4-14)13-21-32-19-9-16(22-33-24(39-34-22)25(28,29)30)11-31-23(19)36(21)12-17-5-8-37-17/h1-3,9-11,17H,4-8,12-13H2/t17-/m0/s1.
What are the key properties of [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite?
[2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite has a molecular weight of 564.93 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[1-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl] hypochlorite is sourced from PubChem (CID 167010430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).