6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C88H67F5N16O4 — CID 161007851

IUPAC6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)cc3F)ccc2n1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc2n1
InChIInChI=1S/2C22H16F2N4O.C22H17FN4O.C22H18N4O/c1-27-10-15-7-13(4-5-20(15)26-27)17-9-18(23)14(8-19(17)24)11-28-12-21-16(22(28)29)3-2-6-25-21;1-27-10-15-7-13(4-5-20(15)26-27)14-8-18(23)17(19(24)9-14)11-28-12-21-16(22(28)29)3-2-6-25-21;1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-25-13-18-11-17(8-9-20(18)24-25)16-6-4-15(5-7-16)12-26-14-21-19(22(26)27)3-2-10-23-21/h2*2-10H,11-12H2,1H3;2-11H,12-13H2,1H3;2-11,13H,12,14H2,1H3
InChIKeyTWSWJHGPRZVTAP-UHFFFAOYSA-N
MW1507.60 g/mol
LogP15.86
Rot. Bonds12

About 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 161007851) has the molecular formula C88H67F5N16O4 and a molecular weight of 1507.60 g/mol. Its IUPAC name is 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID161007851
Molecular FormulaC88H67F5N16O4
Molecular Weight1507.60 g/mol
Exact Mass1506.55
IUPAC Name6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)cc3F)ccc2n1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc2n1
InChIInChI=1S/2C22H16F2N4O.C22H17FN4O.C22H18N4O/c1-27-10-15-7-13(4-5-20(15)26-27)17-9-18(23)14(8-19(17)24)11-28-12-21-16(22(28)29)3-2-6-25-21;1-27-10-15-7-13(4-5-20(15)26-27)14-8-18(23)17(19(24)9-14)11-28-12-21-16(22(28)29)3-2-6-25-21;1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-25-13-18-11-17(8-9-20(18)24-25)16-6-4-15(5-7-16)12-26-14-21-19(22(26)27)3-2-10-23-21/h2*2-10H,11-12H2,1H3;2-11H,12-13H2,1H3;2-11,13H,12,14H2,1H3
InChIKeyTWSWJHGPRZVTAP-UHFFFAOYSA-N
XLogP15.86
TPSA204.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.60
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

Orn-0829 hydrate
CID 154572855
6-(2-Fluoro-4-(2-Methyl-2H-Indazol-5-Yl)Benzyl)-6,7-Dihydro-5H-pyrrolo[3,4-b]Pyridin-5-One
CID 71555068
6-[[2-fluoro-5-(2-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 89534095
6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 89534100
6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 89534108
6-[[2-fluoro-3-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 89534109
6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 89534210
6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 89534245
6-[[2,6-difluoro-4-(2-iodoindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 122535088
3-[3-[5-fluoro-1-[[2-[5-[6-(fluoromethyl)-3-[5-fluoro-1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(fluoromethyl)-2-pyridinyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129301909
1-[[7-(difluoromethyl)-1-[1-ethyl-3-(methylcarbamoyl)indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methylindole-3-carboxamide
CID 132181495
N-[2-[4-[7-(difluoromethyl)-1-[6-fluoro-1-methyl-3-(methylcarbamoyl)indol-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,6-dimethylindole-3-carboxamide
CID 132181682

Frequently Asked Questions

What is the IUPAC name of 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 161007851) is 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)cc3F)ccc2n1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc2n1.
What is the InChIKey of 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is TWSWJHGPRZVTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16F2N4O.C22H17FN4O.C22H18N4O/c1-27-10-15-7-13(4-5-20(15)26-27)17-9-18(23)14(8-19(17)24)11-28-12-21-16(22(28)29)3-2-6-25-21;1-27-10-15-7-13(4-5-20(15)26-27)14-8-18(23)17(19(24)9-14)11-28-12-21-16(22(28)29)3-2-6-25-21;1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-25-13-18-11-17(8-9-20(18)24-25)16-6-4-15(5-7-16)12-26-14-21-19(22(26)27)3-2-10-23-21/h2*2-10H,11-12H2,1H3;2-11H,12-13H2,1H3;2-11,13H,12,14H2,1H3.
What are the key properties of 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 1507.60 g/mol, XLogP of 15.86, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,5-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-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-b]pyridin-5-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 161007851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).