2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone

C71H59F3N8O8 — CID 157160330

IUPAC2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone
SMILESCc1ccc(O)c(-c2nc(-c3c(O)cccc3F)n3c2CCCC3)n1.Cc1ccc(OCc2ccccc2)c(-c2nc(-c3c(O)cccc3F)n3ccccc23)n1.Cc1ccc(OCc2ccccc2)c(C(=O)c2ccccn2)n1.O=Cc1c(O)cccc1F
InChIInChI=1S/C26H20FN3O2.C19H18FN3O2.C19H16N2O2.C7H5FO2/c1-17-13-14-22(32-16-18-8-3-2-4-9-18)25(28-17)24-20-11-5-6-15-30(20)26(29-24)23-19(27)10-7-12-21(23)31;1-11-8-9-15(25)18(21-11)17-13-6-2-3-10-23(13)19(22-17)16-12(20)5-4-7-14(16)24;1-14-10-11-17(23-13-15-7-3-2-4-8-15)18(21-14)19(22)16-9-5-6-12-20-16;8-6-2-1-3-7(10)5(6)4-9/h2-15,31H,16H2,1H3;4-5,7-9,24-25H,2-3,6,10H2,1H3;2-12H,13H2,1H3;1-4,10H
InChIKeyAMHKXDCKFLJNEJ-UHFFFAOYSA-N
MW1209.29 g/mol
LogP14.54
Rot. Bonds13

About 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone

2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone (PubChem CID 157160330) has the molecular formula C71H59F3N8O8 and a molecular weight of 1209.29 g/mol. Its IUPAC name is 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone
PubChem CID157160330
Molecular FormulaC71H59F3N8O8
Molecular Weight1209.29 g/mol
Exact Mass1208.44
IUPAC Name2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone
SMILESCc1ccc(O)c(-c2nc(-c3c(O)cccc3F)n3c2CCCC3)n1.Cc1ccc(OCc2ccccc2)c(-c2nc(-c3c(O)cccc3F)n3ccccc23)n1.Cc1ccc(OCc2ccccc2)c(C(=O)c2ccccn2)n1.O=Cc1c(O)cccc1F
InChIInChI=1S/C26H20FN3O2.C19H18FN3O2.C19H16N2O2.C7H5FO2/c1-17-13-14-22(32-16-18-8-3-2-4-9-18)25(28-17)24-20-11-5-6-15-30(20)26(29-24)23-19(27)10-7-12-21(23)31;1-11-8-9-15(25)18(21-11)17-13-6-2-3-10-23(13)19(22-17)16-12(20)5-4-7-14(16)24;1-14-10-11-17(23-13-15-7-3-2-4-8-15)18(21-14)19(22)16-9-5-6-12-20-16;8-6-2-1-3-7(10)5(6)4-9/h2-15,31H,16H2,1H3;4-5,7-9,24-25H,2-3,6,10H2,1H3;2-12H,13H2,1H3;1-4,10H
InChIKeyAMHKXDCKFLJNEJ-UHFFFAOYSA-N
XLogP14.54
TPSA220.20 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.29
LogP ≤ 514.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone with MolForge

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Related Compounds

4-[3-[4-[1H-benzimidazol-2-yl(difluoro)methyl]phenoxy]pyrazin-2-yl]morpholine;1H-benzimidazol-2-yl-[4-[3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 67384173
Ethane;2-[[3-[2-(4-fluorophenyl)ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]benzoic acid;2-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]benzoic acid
CID 145702814
2-(5-fluoro-3-pyridinyl)-6-piperazin-1-ylchromen-4-one;2-[4-methoxy-3-(trifluoromethyl)phenyl]-6-[(3S)-3-methylpiperazin-1-yl]chromen-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-6-[(3S)-3-methylpiperazin-1-yl]chromen-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-6-piperazin-1-ylchromen-4-one
CID 161515104
2-[8-Hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 165027955
2-[8-Hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 165106101
5-(6-Hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine
CID 69042141
2-[2-[4-[1-(2-Ethoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethoxy]benzoic acid;4-[4-[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]butanoic acid
CID 69710498
4-[4-[1-(Pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]butanoyl 2-[2-[4-[1-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethoxy]benzoate
CID 87958501
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-pyridin-2-yloxypyridine-2-carboxamide
CID 123308665
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-pyridin-4-yloxypyridine-2-carboxamide
CID 123537302
2-(Difluoromethoxy)-5-(imidazo[1,2-a]pyridin-8-ylmethoxy)pyridine-4-carbaldehyde;ethane;2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
CID 145606021
8-[(2,6-Difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;10-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-10-oxodecanoic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;methyl 8-aminooctanoate;methyl 10-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-10-oxodecanoate
CID 157152611

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone?
The IUPAC name of 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone (CID 157160330) is 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone.
What is the SMILES notation for 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone?
The canonical SMILES for 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone is Cc1ccc(O)c(-c2nc(-c3c(O)cccc3F)n3c2CCCC3)n1.Cc1ccc(OCc2ccccc2)c(-c2nc(-c3c(O)cccc3F)n3ccccc23)n1.Cc1ccc(OCc2ccccc2)c(C(=O)c2ccccn2)n1.O=Cc1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone?
The InChIKey is AMHKXDCKFLJNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2.C19H18FN3O2.C19H16N2O2.C7H5FO2/c1-17-13-14-22(32-16-18-8-3-2-4-9-18)25(28-17)24-20-11-5-6-15-30(20)26(29-24)23-19(27)10-7-12-21(23)31;1-11-8-9-15(25)18(21-11)17-13-6-2-3-10-23(13)19(22-17)16-12(20)5-4-7-14(16)24;1-14-10-11-17(23-13-15-7-3-2-4-8-15)18(21-14)19(22)16-9-5-6-12-20-16;8-6-2-1-3-7(10)5(6)4-9/h2-15,31H,16H2,1H3;4-5,7-9,24-25H,2-3,6,10H2,1H3;2-12H,13H2,1H3;1-4,10H.
What are the key properties of 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone?
2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone has a molecular weight of 1209.29 g/mol, XLogP of 14.54, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxybenzaldehyde;2-[3-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-6-methylpyridin-3-ol;3-fluoro-2-[1-(6-methyl-3-phenylmethoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol;(6-methyl-3-phenylmethoxy-2-pyridinyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 157160330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).