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

C98H81F4N15O6S — CID 158642612

IUPAC6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESC=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cc1cc(-c2cccnc2)ccc1CN1Cc2cccnc2C1=O.Cn1cc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)c(F)c2)cn1.Cn1cc(-c2cnc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.O=C1c2ccccc2CN1Cc1ccc(-n2cccc2)cc1F
InChIInChI=1S/C23H18FN3O.C20H17N3O.C19H15FN2O.C18H15FN4O.C18H16FN3O2S/c1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;1-14-10-15(16-4-2-8-21-11-16)6-7-17(14)12-23-13-18-5-3-9-22-19(18)20(23)24;20-18-11-16(21-9-3-4-10-21)8-7-15(18)13-22-12-14-5-1-2-6-17(14)19(22)23;1-22-9-14(8-21-22)13-6-16(19)17(20-7-13)11-23-10-12-4-2-3-5-15(12)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/h2-8,10-11,26H,1,9,12-13H2;2-11H,12-13H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3
InChIKeyIAOQLYHGFPBYAI-UHFFFAOYSA-N
MW1672.88 g/mol
LogP17.61
Rot. Bonds15

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

6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 158642612) has the molecular formula C98H81F4N15O6S and a molecular weight of 1672.88 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID158642612
Molecular FormulaC98H81F4N15O6S
Molecular Weight1672.88 g/mol
Exact Mass1671.62
IUPAC Name6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESC=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cc1cc(-c2cccnc2)ccc1CN1Cc2cccnc2C1=O.Cn1cc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)c(F)c2)cn1.Cn1cc(-c2cnc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.O=C1c2ccccc2CN1Cc1ccc(-n2cccc2)cc1F
InChIInChI=1S/C23H18FN3O.C20H17N3O.C19H15FN2O.C18H15FN4O.C18H16FN3O2S/c1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;1-14-10-15(16-4-2-8-21-11-16)6-7-17(14)12-23-13-18-5-3-9-22-19(18)20(23)24;20-18-11-16(21-9-3-4-10-21)8-7-15(18)13-22-12-14-5-1-2-6-17(14)19(22)23;1-22-9-14(8-21-22)13-6-16(19)17(20-7-13)11-23-10-12-4-2-3-5-15(12)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/h2-8,10-11,26H,1,9,12-13H2;2-11H,12-13H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3
InChIKeyIAOQLYHGFPBYAI-UHFFFAOYSA-N
XLogP17.61
TPSA222.78 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.88
LogP ≤ 517.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (CID 158642612) is 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is C=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cc1cc(-c2cccnc2)ccc1CN1Cc2cccnc2C1=O.Cn1cc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)c(F)c2)cn1.Cn1cc(-c2cnc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.O=C1c2ccccc2CN1Cc1ccc(-n2cccc2)cc1F.
What is the InChIKey of 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is IAOQLYHGFPBYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O.C20H17N3O.C19H15FN2O.C18H15FN4O.C18H16FN3O2S/c1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;1-14-10-15(16-4-2-8-21-11-16)6-7-17(14)12-23-13-18-5-3-9-22-19(18)20(23)24;20-18-11-16(21-9-3-4-10-21)8-7-15(18)13-22-12-14-5-1-2-6-17(14)19(22)23;1-22-9-14(8-21-22)13-6-16(19)17(20-7-13)11-23-10-12-4-2-3-5-15(12)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/h2-8,10-11,26H,1,9,12-13H2;2-11H,12-13H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3.
What are the key properties of 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 1672.88 g/mol, XLogP of 17.61, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;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;6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 158642612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).