1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one

C21H18N6O — CID 146845095

IUPAC1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)c2cn[nH]c2n1
InChIInChI=1S/C21H18N6O/c1-13-24-20(18-12-23-26-21(18)25-13)16-9-15(10-22-11-16)14-4-6-17(7-5-14)27-8-2-3-19(27)28/h4-7,9-12H,2-3,8H2,1H3,(H,23,24,25,26)
InChIKeySGXIMHDFEAOUSF-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.52
Rot. Bonds3

About 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 146845095) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
PubChem CID146845095
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)c2cn[nH]c2n1
InChIInChI=1S/C21H18N6O/c1-13-24-20(18-12-23-26-21(18)25-13)16-9-15(10-22-11-16)14-4-6-17(7-5-14)27-8-2-3-19(27)28/h4-7,9-12H,2-3,8H2,1H3,(H,23,24,25,26)
InChIKeySGXIMHDFEAOUSF-UHFFFAOYSA-N
XLogP3.52
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155210714
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 160634990
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
CID 166365330
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-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
N,N-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 149276503

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 146845095) is 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is Cc1nc(-c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)c2cn[nH]c2n1.
What is the InChIKey of 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The InChIKey is SGXIMHDFEAOUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-13-24-20(18-12-23-26-21(18)25-13)16-9-15(10-22-11-16)14-4-6-17(7-5-14)27-8-2-3-19(27)28/h4-7,9-12H,2-3,8H2,1H3,(H,23,24,25,26).
What are the key properties of 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 146845095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).