(7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

C22H20FN3O3 — CID 92714002

IUPAC(7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC)c(N2C(=O)c3cccnc3[C@@H]2Nc2cc(F)ccc2C)c1
InChIInChI=1S/C22H20FN3O3/c1-13-6-7-14(23)11-17(13)25-21-20-16(5-4-10-24-20)22(27)26(21)18-12-15(28-2)8-9-19(18)29-3/h4-12,21,25H,1-3H3/t21-/m1/s1
InChIKeyUYNPOLFITJZSGO-OAQYLSRUSA-N
MW393.42 g/mol
LogP4.32
Rot. Bonds5

About (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

(7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 92714002) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID92714002
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name(7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC)c(N2C(=O)c3cccnc3[C@@H]2Nc2cc(F)ccc2C)c1
InChIInChI=1S/C22H20FN3O3/c1-13-6-7-14(23)11-17(13)25-21-20-16(5-4-10-24-20)22(27)26(21)18-12-15(28-2)8-9-19(18)29-3/h4-12,21,25H,1-3H3/t21-/m1/s1
InChIKeyUYNPOLFITJZSGO-OAQYLSRUSA-N
XLogP4.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(5-chloro-2-methylanilino)-6-(2,5-dimethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582172
(7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714008
(7R)-6-(2,5-dimethoxyphenyl)-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714042
(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714039
7-(4-fluoro-2-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20910371
7-(2,5-difluoroanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20910366
(7S)-7-(2,5-difluoroanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689435
(7S)-7-(5-fluoro-2-methylanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714255
7-(2,4-dimethoxyanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20910356
(7R)-7-(2,4-dimethoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714585
(7S)-7-(2,4-dimethoxyanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713849
7-(4-chloro-2-methoxy-5-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582242

Frequently Asked Questions

What is the IUPAC name of (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 92714002) is (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(OC)c(N2C(=O)c3cccnc3[C@@H]2Nc2cc(F)ccc2C)c1.
What is the InChIKey of (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UYNPOLFITJZSGO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-13-6-7-14(23)11-17(13)25-21-20-16(5-4-10-24-20)22(27)26(21)18-12-15(28-2)8-9-19(18)29-3/h4-12,21,25H,1-3H3/t21-/m1/s1.
What are the key properties of (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
(7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 393.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 92714002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).