[(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol

C25H27ClFN3O4 — CID 157168391

IUPAC[(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol
SMILESCOC/C=C/c1cc(F)c2c(c1)CCC2Cc1nc2nc(O[C@@H]3CO[C@H](CO)C3)[nH]c2cc1Cl
InChIInChI=1S/C25H27ClFN3O4/c1-32-6-2-3-14-7-15-4-5-16(23(15)20(27)8-14)9-21-19(26)11-22-24(28-21)30-25(29-22)34-18-10-17(12-31)33-13-18/h2-3,7-8,11,16-18,31H,4-6,9-10,12-13H2,1H3,(H,28,29,30)/b3-2+/t16?,17-,18-/m0/s1
InChIKeySSBUQPHAGNDRBC-GULVETLCSA-N
MW487.96 g/mol
LogP4.21
Rot. Bonds8

About [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol

[(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol (PubChem CID 157168391) has the molecular formula C25H27ClFN3O4 and a molecular weight of 487.96 g/mol. Its IUPAC name is [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol
PubChem CID157168391
Molecular FormulaC25H27ClFN3O4
Molecular Weight487.96 g/mol
Exact Mass487.17
IUPAC Name[(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol
SMILESCOC/C=C/c1cc(F)c2c(c1)CCC2Cc1nc2nc(O[C@@H]3CO[C@H](CO)C3)[nH]c2cc1Cl
InChIInChI=1S/C25H27ClFN3O4/c1-32-6-2-3-14-7-15-4-5-16(23(15)20(27)8-14)9-21-19(26)11-22-24(28-21)30-25(29-22)34-18-10-17(12-31)33-13-18/h2-3,7-8,11,16-18,31H,4-6,9-10,12-13H2,1H3,(H,28,29,30)/b3-2+/t16?,17-,18-/m0/s1
InChIKeySSBUQPHAGNDRBC-GULVETLCSA-N
XLogP4.21
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.96
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(3R,6R)-6-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 145390066
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[(7-fluoro-5-piperidin-4-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 159863448
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[5-(2-cyclobutyloxyethoxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 162144625
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[7-fluoro-5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 161492256
2-[4-[(1R)-1-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-7-fluoro-2,3-dihydro-1H-inden-5-yl]pyrazol-1-yl]acetonitrile
CID 158135516
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[[(3R)-4-fluoro-6-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1-benzofuran-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130391357
[4-[[5-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol
CID 123567423
[1-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-7-fluoro-2,3-dihydro-1H-inden-5-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 161241688
2-[(2R,4R)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]ethanol
CID 144737476
1-[4-[6-chloro-2-[5-(hydroxymethyl)oxolan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclobutan-1-ol
CID 144579804
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 161350454
1-[5-[4-[6-chloro-2-[5-(hydroxymethyl)oxolan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-2-methylpropan-2-ol
CID 123543892

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol (CID 157168391) is [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol is COC/C=C/c1cc(F)c2c(c1)CCC2Cc1nc2nc(O[C@@H]3CO[C@H](CO)C3)[nH]c2cc1Cl.
What is the InChIKey of [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol?
The InChIKey is SSBUQPHAGNDRBC-GULVETLCSA-N. The full InChI is InChI=1S/C25H27ClFN3O4/c1-32-6-2-3-14-7-15-4-5-16(23(15)20(27)8-14)9-21-19(26)11-22-24(28-21)30-25(29-22)34-18-10-17(12-31)33-13-18/h2-3,7-8,11,16-18,31H,4-6,9-10,12-13H2,1H3,(H,28,29,30)/b3-2+/t16?,17-,18-/m0/s1.
What are the key properties of [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol?
[(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol has a molecular weight of 487.96 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol is sourced from PubChem (CID 157168391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).