6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide

C103H87F2N15O10S3 — CID 162230381

About 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide

6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 162230381) has the molecular formula C103H87F2N15O10S3 and a molecular weight of 1829.12 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

• Compound Name: 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide
• PubChem CID: 162230381
• Molecular Formula: C103H87F2N15O10S3
• Molecular Weight: 1829.12 g/mol
• Exact Mass: 1827.59
• IUPAC Name: 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide
• SMILES: CN1CCc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc21.Cc1coc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)cc2)n1.Cc1nc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)cc2)no1.Cn1cc2cc(-c3ccc(CN4Cc5ncncc5C4=O)c(F)c3)ccc2n1.O=S1(=O)c2ccccc2CN1Cc1ccc(C2=CCC(c3ccccc3)=N2)cc1
• InChI: InChI=1S/C24H20N2O2S.C23H20FN3O.C21H16FN5O.C18H16N2O3S.C17H15N3O3S/c27-29(28)24-9-5-4-8-21(24)17-26(29)16-18-10-12-20(13-11-18)23-15-14-22(25-23)19-6-2-1-3-7-19;1-26-10-8-17-11-15(6-7-22(17)26)16-4-5-18(20(24)12-16)13-27-14-21-19(23(27)28)3-2-9-25-21;1-26-9-16-6-13(4-5-19(16)25-26)14-2-3-15(18(22)7-14)10-27-11-20-17(21(27)28)8-23-12-24-20;1-13-12-23-18(19-13)15-8-6-14(7-9-15)10-20-11-16-4-2-3-5-17(16)24(20,21)22;1-12-18-17(19-23-12)14-8-6-13(7-9-14)10-20-11-15-4-2-3-5-16(15)24(20,21)22/h1-13,15H,14,16-17H2;2-7,9,11-12H,8,10,13-14H2,1H3;2-9,12H,10-11H2,1H3;2-9,12H,10-11H2,1H3;2-9H,10-11H2,1H3
• InChIKey: ZVIMMPBCNPCNFP-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 289.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.12
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide?

The IUPAC name of 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide (CID 162230381) is 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide.

What is the SMILES notation for 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide?

The canonical SMILES for 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide is CN1CCc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc21.Cc1coc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)cc2)n1.Cc1nc(-c2ccc(CN3Cc4ccccc4S3(=O)=O)cc2)no1.Cn1cc2cc(-c3ccc(CN4Cc5ncncc5C4=O)c(F)c3)ccc2n1.O=S1(=O)c2ccccc2CN1Cc1ccc(C2=CCC(c3ccccc3)=N2)cc1.

What is the InChIKey of 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide?

The InChIKey is ZVIMMPBCNPCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S.C23H20FN3O.C21H16FN5O.C18H16N2O3S.C17H15N3O3S/c27-29(28)24-9-5-4-8-21(24)17-26(29)16-18-10-12-20(13-11-18)23-15-14-22(25-23)19-6-2-1-3-7-19;1-26-10-8-17-11-15(6-7-22(17)26)16-4-5-18(20(24)12-16)13-27-14-21-19(23(27)28)3-2-9-25-21;1-26-9-16-6-13(4-5-19(16)25-26)14-2-3-15(18(22)7-14)10-27-11-20-17(21(27)28)8-23-12-24-20;1-13-12-23-18(19-13)15-8-6-14(7-9-15)10-20-11-16-4-2-3-5-17(16)24(20,21)22;1-12-18-17(19-23-12)14-8-6-13(7-9-14)10-20-11-15-4-2-3-5-16(15)24(20,21)22/h1-13,15H,14,16-17H2;2-7,9,11-12H,8,10,13-14H2,1H3;2-9,12H,10-11H2,1H3;2-9,12H,10-11H2,1H3;2-9H,10-11H2,1H3.

What are the key properties of 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide?

6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 1829.12 g/mol, XLogP of 18.09, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-fluoro-4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 162230381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).