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

C23H23N3O3 — CID 92714008

IUPAC(7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC)c(N2C(=O)c3cccnc3[C@@H]2Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-14-7-8-16(12-15(14)2)25-22-21-18(6-5-11-24-21)23(27)26(22)19-13-17(28-3)9-10-20(19)29-4/h5-13,22,25H,1-4H3/t22-/m1/s1
InChIKeyYLSHRSSHJIGSDR-JOCHJYFZSA-N
MW389.46 g/mol
LogP4.49
Rot. Bonds5

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

(7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 92714008) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID92714008
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC)c(N2C(=O)c3cccnc3[C@@H]2Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-14-7-8-16(12-15(14)2)25-22-21-18(6-5-11-24-21)23(27)26(22)19-13-17(28-3)9-10-20(19)29-4/h5-13,22,25H,1-4H3/t22-/m1/s1
InChIKeyYLSHRSSHJIGSDR-JOCHJYFZSA-N
XLogP4.49
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-6-(2,5-dimethoxyphenyl)-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714042
(7S)-7-(3,4-dimethylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689427
(7R)-7-(3,4-dimethylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689426
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-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714002
(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714039
(7S)-7-(3-methoxyanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689407
7-(2,4-dimethoxyanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20910356
7-(3-chloro-4-methoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582393
(7S)-7-(2,4-dimethoxyanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713849
(7R)-7-(2,4-dimethoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714585
6-(4-ethoxyphenyl)-7-(3-methoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582155

Frequently Asked Questions

What is the IUPAC name of (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 92714008) is (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(OC)c(N2C(=O)c3cccnc3[C@@H]2Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YLSHRSSHJIGSDR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-7-8-16(12-15(14)2)25-22-21-18(6-5-11-24-21)23(27)26(22)19-13-17(28-3)9-10-20(19)29-4/h5-13,22,25H,1-4H3/t22-/m1/s1.
What are the key properties of (7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
(7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 389.46 g/mol, XLogP of 4.49, 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-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 92714008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).