2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one

C83H68F4N12O5S — CID 162216916

IUPAC2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCn1cc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4cccnc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.Cn1ncc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21
InChIInChI=1S/C24H19FN2O.C23H18FN3O.C18H15FN4O.C18H16FN3O2S/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-26-22-11-16(6-8-17(22)12-25-26)15-7-9-19(21(24)10-15)14-27-13-18-4-2-3-5-20(18)23(27)28;1-22-9-15(8-21-22)12-4-5-13(16(19)7-12)10-23-11-14-3-2-6-20-17(14)18(23)24;1-21-10-16(9-20-21)13-6-7-14(17(19)8-13)11-22-12-15-4-2-3-5-18(15)25(22,23)24/h2-13H,14-15H2,1H3;2-12H,13-14H2,1H3;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3
InChIKeyZTPAZGVSKFYFQK-UHFFFAOYSA-N
MW1421.59 g/mol
LogP15.38
Rot. Bonds12

About 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one

2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 162216916) has the molecular formula C83H68F4N12O5S and a molecular weight of 1421.59 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID162216916
Molecular FormulaC83H68F4N12O5S
Molecular Weight1421.59 g/mol
Exact Mass1420.51
IUPAC Name2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCn1cc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4cccnc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.Cn1ncc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21
InChIInChI=1S/C24H19FN2O.C23H18FN3O.C18H15FN4O.C18H16FN3O2S/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-26-22-11-16(6-8-17(22)12-25-26)15-7-9-19(21(24)10-15)14-27-13-18-4-2-3-5-20(18)23(27)28;1-22-9-15(8-21-22)12-4-5-13(16(19)7-12)10-23-11-14-3-2-6-20-17(14)18(23)24;1-21-10-16(9-20-21)13-6-7-14(17(19)8-13)11-22-12-15-4-2-3-5-18(15)25(22,23)24/h2-13H,14-15H2,1H3;2-12H,13-14H2,1H3;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3
InChIKeyZTPAZGVSKFYFQK-UHFFFAOYSA-N
XLogP15.38
TPSA169.59 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.59
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one with MolForge

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Related Compounds

2-[2-[4-[[3-(Benzenesulfonyl)-8-fluoro-7-(2-methylphenyl)pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 155635150
3-[[4-[benzenesulfonyl(methyl)amino]-2-fluorobenzoyl]amino]-N,N-bis[(3R)-1-cyanopyrrolidin-3-yl]-1-methyl-6-(1-methylpyrazol-4-yl)indole-2-carboxamide
CID 156701737
3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 157328967
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158460730
5-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-N-methylpyridine-2-carboxamide;4-(2,4-difluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzenesulfonamide;4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyltriazole;1-methyl-4-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyrazole
CID 159257911
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 159301100
N-[2-[[4,6-difluoro-1-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-3-methyl-2H-indol-3-yl]sulfonyl]ethyl]-6-[4-[3-fluoro-4-[(3-methylsulfonylindol-1-yl)methyl]phenyl]-1-iodopyrazol-3-yl]pyridazine-3-carboxamide
CID 164068705
(5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 157175821
5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 157619029
5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 157694507
N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 158197165
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyrrol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 158432314

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (CID 162216916) is 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is Cn1cc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4cccnc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.Cn1ncc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.
What is the InChIKey of 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is ZTPAZGVSKFYFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O.C23H18FN3O.C18H15FN4O.C18H16FN3O2S/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-26-22-11-16(6-8-17(22)12-25-26)15-7-9-19(21(24)10-15)14-27-13-18-4-2-3-5-20(18)23(27)28;1-22-9-15(8-21-22)12-4-5-13(16(19)7-12)10-23-11-14-3-2-6-20-17(14)18(23)24;1-21-10-16(9-20-21)13-6-7-14(17(19)8-13)11-22-12-15-4-2-3-5-18(15)25(22,23)24/h2-13H,14-15H2,1H3;2-12H,13-14H2,1H3;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3.
What are the key properties of 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 1421.59 g/mol, XLogP of 15.38, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 162216916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).