2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C20H16F2N4O3 — CID 118348052

IUPAC2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1OC
InChIInChI=1S/C20H16F2N4O3/c1-28-15-6-7-16(26-20(15)29-2)25-13-8-12(17-10(21)4-3-5-11(17)22)24-14-9-23-19(27)18(13)14/h3-8H,9H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyUATJVJMIDAICNP-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.43
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 118348052) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID118348052
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC Name2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1OC
InChIInChI=1S/C20H16F2N4O3/c1-28-15-6-7-16(26-20(15)29-2)25-13-8-12(17-10(21)4-3-5-11(17)22)24-14-9-23-19(27)18(13)14/h3-8H,9H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyUATJVJMIDAICNP-UHFFFAOYSA-N
XLogP3.43
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 118348052) is 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1OC.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UATJVJMIDAICNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-28-15-6-7-16(26-20(15)29-2)25-13-8-12(17-10(21)4-3-5-11(17)22)24-14-9-23-19(27)18(13)14/h3-8H,9H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 398.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 118348052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).