6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one

C22H18F4N4O3 — CID 88570861

IUPAC6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(OCC(F)F)c1)C2C
InChIInChI=1S/C22H18F4N4O3/c1-11-5-16(13-6-15(9-27-8-13)33-22(25)26)29-20-12(2)30(21(31)19(11)20)14-3-4-28-18(7-14)32-10-17(23)24/h3-9,12,17,22H,10H2,1-2H3
InChIKeyCQYBEZRXBDWXJN-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.81
Rot. Bonds7

About 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one

6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 88570861) has the molecular formula C22H18F4N4O3 and a molecular weight of 462.40 g/mol. Its IUPAC name is 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID88570861
Molecular FormulaC22H18F4N4O3
Molecular Weight462.40 g/mol
Exact Mass462.13
IUPAC Name6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(OCC(F)F)c1)C2C
InChIInChI=1S/C22H18F4N4O3/c1-11-5-16(13-6-15(9-27-8-13)33-22(25)26)29-20-12(2)30(21(31)19(11)20)14-3-4-28-18(7-14)32-10-17(23)24/h3-9,12,17,22H,10H2,1-2H3
InChIKeyCQYBEZRXBDWXJN-UHFFFAOYSA-N
XLogP4.81
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-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

2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88570873
6-[(1E)-1-aminobuta-1,3-dien-2-yl]-2-[5-(1-fluoroethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995218
(7R)-2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-7-methoxy-4-methyl-6-[(E)-1-[(methylideneamino)-(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129212923
N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
CID 88570954
2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-diol
CID 137119279
2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137094464
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
CID 158004615
2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158944359
3-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46316889
(3S,4R)-3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4,4'-dimethyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 134423807
3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4,4'-dimethyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 123718641
[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
CID 82007049

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 88570861) is 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(OCC(F)F)c1)C2C.
What is the InChIKey of 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is CQYBEZRXBDWXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O3/c1-11-5-16(13-6-15(9-27-8-13)33-22(25)26)29-20-12(2)30(21(31)19(11)20)14-3-4-28-18(7-14)32-10-17(23)24/h3-9,12,17,22H,10H2,1-2H3.
What are the key properties of 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 462.40 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 88570861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).