bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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

C122H118F3N27O20 — CID 158229460

IUPACbis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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
SMILESCCn1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)cn1.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.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cnc1OC
InChIInChI=1S/C21H17F3N4O3.2C21H20N4O4.2C20H21N5O3.C19H19N5O3/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;2*1-5-24-10-14(9-22-24)25-11-16-18(20(25)26)12(2)6-15(23-16)13-7-17(27-3)19(28-4)21-8-13;1-11-5-14(12-6-16(26-3)18(27-4)20-7-12)22-15-10-24(19(25)17(11)15)13-8-21-23(2)9-13/h4-9H,10H2,1-3H3;2*4-9,26H,10-11H2,1-3H3;2*6-10H,5,11H2,1-4H3;5-9H,10H2,1-4H3
InChIKeyGEETYMSXUQDFLR-UHFFFAOYSA-N
MW2339.45 g/mol
LogP17.13
Rot. Bonds28

About bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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

bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 158229460) has the molecular formula C122H118F3N27O20 and a molecular weight of 2339.45 g/mol. Its IUPAC name is bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 Namebis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 CID158229460
Molecular FormulaC122H118F3N27O20
Molecular Weight2339.45 g/mol
Exact Mass2337.90
IUPAC Namebis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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
SMILESCCn1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)cn1.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.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cnc1OC
InChIInChI=1S/C21H17F3N4O3.2C21H20N4O4.2C20H21N5O3.C19H19N5O3/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;2*1-5-24-10-14(9-22-24)25-11-16-18(20(25)26)12(2)6-15(23-16)13-7-17(27-3)19(28-4)21-8-13;1-11-5-14(12-6-16(26-3)18(27-4)20-7-12)22-15-10-24(19(25)17(11)15)13-8-21-23(2)9-13/h4-9H,10H2,1-3H3;2*4-9,26H,10-11H2,1-3H3;2*6-10H,5,11H2,1-4H3;5-9H,10H2,1-4H3
InChIKeyGEETYMSXUQDFLR-UHFFFAOYSA-N
XLogP17.13
TPSA519.89 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds28
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002339.45
LogP ≤ 517.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 158229460) is bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)cn1.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.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cnc1OC.
What is the InChIKey of bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 GEETYMSXUQDFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3.2C21H20N4O4.2C20H21N5O3.C19H19N5O3/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;2*1-5-24-10-14(9-22-24)25-11-16-18(20(25)26)12(2)6-15(23-16)13-7-17(27-3)19(28-4)21-8-13;1-11-5-14(12-6-16(26-3)18(27-4)20-7-12)22-15-10-24(19(25)17(11)15)13-8-21-23(2)9-13/h4-9H,10H2,1-3H3;2*4-9,26H,10-11H2,1-3H3;2*6-10H,5,11H2,1-4H3;5-9H,10H2,1-4H3.
What are the key properties of bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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?
bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 2339.45 g/mol, XLogP of 17.13, 28 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-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-(1-methylpyrazol-4-yl)-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 158229460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).