1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one

C24H22N4O — CID 155227317

IUPAC1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESCc1cn(C)c2nccc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c12
InChIInChI=1S/C24H22N4O/c1-16-15-27(2)24-23(16)21(9-10-26-24)19-12-18(13-25-14-19)17-5-7-20(8-6-17)28-11-3-4-22(28)29/h5-10,12-15H,3-4,11H2,1-2H3
InChIKeyWRHZKHRQQHKGSZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.74
Rot. Bonds3

About 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 155227317) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
PubChem CID155227317
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESCc1cn(C)c2nccc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c12
InChIInChI=1S/C24H22N4O/c1-16-15-27(2)24-23(16)21(9-10-26-24)19-12-18(13-25-14-19)17-5-7-20(8-6-17)28-11-3-4-22(28)29/h5-10,12-15H,3-4,11H2,1-2H3
InChIKeyWRHZKHRQQHKGSZ-UHFFFAOYSA-N
XLogP4.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 147144985
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
tert-butyl 4-[1-methyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 155210762
methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
N,N-dimethyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-7H-cyclopenta[b]pyridine-6-carboxamide
CID 162257714
1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 159588070
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 153264528
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-pyridin-4-yl-7H-cyclopenta[b]pyridine-6-carboxamide
CID 158497159

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 155227317) is 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is Cc1cn(C)c2nccc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c12.
What is the InChIKey of 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The InChIKey is WRHZKHRQQHKGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-15-27(2)24-23(16)21(9-10-26-24)19-12-18(13-25-14-19)17-5-7-20(8-6-17)28-11-3-4-22(28)29/h5-10,12-15H,3-4,11H2,1-2H3.
What are the key properties of 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 382.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155227317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).