(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

C19H14ClN3O — CID 92714532

IUPAC(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2[C@H](Nc2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C19H14ClN3O/c20-13-8-10-14(11-9-13)22-18-17-16(7-4-12-21-17)19(24)23(18)15-5-2-1-3-6-15/h1-12,18,22H/t18-/m1/s1
InChIKeyLVRDJNOXMPELLG-GOSISDBHSA-N
MW335.79 g/mol
LogP4.51
Rot. Bonds3

About (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 92714532) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID92714532
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2[C@H](Nc2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C19H14ClN3O/c20-13-8-10-14(11-9-13)22-18-17-16(7-4-12-21-17)19(24)23(18)15-5-2-1-3-6-15/h1-12,18,22H/t18-/m1/s1
InChIKeyLVRDJNOXMPELLG-GOSISDBHSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile
CID 92876977
7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582391
(7R)-7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714567
7-(3-chloro-4-methoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582393
7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582377
(7R)-7-(3,5-dichloroanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666230
(7S)-7-(2-chloro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714559
(7S)-7-(3-chloro-4-fluoroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666247
(7R)-7-(3-chloro-4-fluoroanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95113543
3-anilino-2-(4-chlorophenyl)-3H-isoindol-1-one
CID 20867124
6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
CID 126459065
(7S)-7-(5-chloro-2-methylanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714473

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 92714532) is (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2[C@H](Nc2ccc(Cl)cc2)N1c1ccccc1.
What is the InChIKey of (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is LVRDJNOXMPELLG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-13-8-10-14(11-9-13)22-18-17-16(7-4-12-21-17)19(24)23(18)15-5-2-1-3-6-15/h1-12,18,22H/t18-/m1/s1.
What are the key properties of (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 335.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 92714532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).