2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C63H57F3N12O11 — CID 158660187

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2cc(C)c3c(n2)CN(c2ccc(C(F)(F)F)nc2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2ccc(CO)nc2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(CO)c2)C3=O)cnc1OC
InChIInChI=1S/C21H17F3N4O3.2C21H20N4O4/c1-11-6-14(12-7-16(30-2)19(31-3)26-8-12)27-15-10-28(20(29)18(11)15)13-4-5-17(25-9-13)21(22,23)24;1-12-4-16(14-6-18(28-2)20(29-3)23-8-14)24-17-10-25(21(27)19(12)17)15-5-13(11-26)7-22-9-15;1-12-6-16(13-7-18(28-2)20(29-3)23-8-13)24-17-10-25(21(27)19(12)17)15-5-4-14(11-26)22-9-15/h4-9H,10H2,1-3H3;2*4-9,26H,10-11H2,1-3H3
InChIKeyICQRMONILCXHFI-UHFFFAOYSA-N
MW1215.22 g/mol
LogP9.08
Rot. Bonds14

About 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one

2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158660187) has the molecular formula C63H57F3N12O11 and a molecular weight of 1215.22 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID158660187
Molecular FormulaC63H57F3N12O11
Molecular Weight1215.22 g/mol
Exact Mass1214.42
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2cc(C)c3c(n2)CN(c2ccc(C(F)(F)F)nc2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2ccc(CO)nc2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(CO)c2)C3=O)cnc1OC
InChIInChI=1S/C21H17F3N4O3.2C21H20N4O4/c1-11-6-14(12-7-16(30-2)19(31-3)26-8-12)27-15-10-28(20(29)18(11)15)13-4-5-17(25-9-13)21(22,23)24;1-12-4-16(14-6-18(28-2)20(29-3)23-8-14)24-17-10-25(21(27)19(12)17)15-5-13(11-26)7-22-9-15;1-12-6-16(13-7-18(28-2)20(29-3)23-8-13)24-17-10-25(21(27)19(12)17)15-5-4-14(11-26)22-9-15/h4-9H,10H2,1-3H3;2*4-9,26H,10-11H2,1-3H3
InChIKeyICQRMONILCXHFI-UHFFFAOYSA-N
XLogP9.08
TPSA272.78 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.22
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327233
ethyl 2-[5-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyridin-2-yl]-2,2-difluoroacetate
CID 53327274
2-(5,6-dimethoxypyridin-3-yl)-6-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327320
2-(5,6-dimethoxypyridin-3-yl)-7-methoxy-6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 66743349
2-(5,6-dimethoxypyridin-3-yl)-6-[1-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68044910
2-(5,6-dimethoxypyridin-3-yl)-6-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68044923
2-(5,6-dimethoxypyridin-3-yl)-6-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68044924
2-(5,6-dimethoxypyridin-3-yl)-6-[6-(4,4,4-trifluorobutoxy)pyridin-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68044997
2-(5,6-dimethoxypyridin-3-yl)-6-[6-(1,1,1-trifluoro-3-hydroxypropan-2-yl)oxypyridin-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045004
2-(5,6-dimethoxy-3-pyridinyl)-6-(2-fluoro-4-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045033
2-(5,6-dimethoxypyridin-2-yl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045037
2-(5,6-dimethoxypyridin-3-yl)-4-methyl-6-[6-(trifluoromethyl)pyridin-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045061

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 158660187) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cc(-c2cc(C)c3c(n2)CN(c2ccc(C(F)(F)F)nc2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2ccc(CO)nc2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(CO)c2)C3=O)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ICQRMONILCXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3.2C21H20N4O4/c1-11-6-14(12-7-16(30-2)19(31-3)26-8-12)27-15-10-28(20(29)18(11)15)13-4-5-17(25-9-13)21(22,23)24;1-12-4-16(14-6-18(28-2)20(29-3)23-8-14)24-17-10-25(21(27)19(12)17)15-5-13(11-26)7-22-9-15;1-12-6-16(13-7-18(28-2)20(29-3)23-8-13)24-17-10-25(21(27)19(12)17)15-5-4-14(11-26)22-9-15/h4-9H,10H2,1-3H3;2*4-9,26H,10-11H2,1-3H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 1215.22 g/mol, XLogP of 9.08, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158660187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).