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

C24H21N5O — CID 155210714

IUPAC1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cncc(-c3[nH]nc4ncc(C5CC5)cc34)c2)cc1
InChIInChI=1S/C24H21N5O/c30-22-2-1-9-29(22)20-7-5-16(6-8-20)17-10-19(13-25-12-17)23-21-11-18(15-3-4-15)14-26-24(21)28-27-23/h5-8,10-15H,1-4,9H2,(H,26,27,28)
InChIKeyAFWUOZAEDLNQFE-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.69
Rot. Bonds4

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

1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 155210714) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
PubChem CID155210714
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cncc(-c3[nH]nc4ncc(C5CC5)cc34)c2)cc1
InChIInChI=1S/C24H21N5O/c30-22-2-1-9-29(22)20-7-5-16(6-8-20)17-10-19(13-25-12-17)23-21-11-18(15-3-4-15)14-26-24(21)28-27-23/h5-8,10-15H,1-4,9H2,(H,26,27,28)
InChIKeyAFWUOZAEDLNQFE-UHFFFAOYSA-N
XLogP4.69
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 146845095
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 160634990
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 157140097
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-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 153264528
methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 155210714) is 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2cncc(-c3[nH]nc4ncc(C5CC5)cc34)c2)cc1.
What is the InChIKey of 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The InChIKey is AFWUOZAEDLNQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-22-2-1-9-29(22)20-7-5-16(6-8-20)17-10-19(13-25-12-17)23-21-11-18(15-3-4-15)14-26-24(21)28-27-23/h5-8,10-15H,1-4,9H2,(H,26,27,28).
What are the key properties of 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 395.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155210714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).