5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one

C24H22N4O — CID 118660683

IUPAC5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C24H22N4O/c1-16-3-10-24(29)28(16)21-9-8-19-12-25-14-23(22(19)11-21)18-6-4-17(5-7-18)20-13-26-27(2)15-20/h4-9,11-16H,3,10H2,1-2H3
InChIKeyRNOLYKOYVYCIIM-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.82
Rot. Bonds3

About 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one

5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one (PubChem CID 118660683) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one
PubChem CID118660683
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C24H22N4O/c1-16-3-10-24(29)28(16)21-9-8-19-12-25-14-23(22(19)11-21)18-6-4-17(5-7-18)20-13-26-27(2)15-20/h4-9,11-16H,3,10H2,1-2H3
InChIKeyRNOLYKOYVYCIIM-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

BI-1347
CID 132180482
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
N-{1-Amino-4-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-isoquinolin-6-yl}-acetamide
CID 118660721
N-{4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinolin-6-yl}-acetamide
CID 118660758
3-{4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinolin-6-yl}-oxazolidin-2-one
CID 118660893
6-[4-(1-Methylpyrazol-4-yl)phenyl]-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 168287025
2-[4-(1-Methylpyrazol-4-yl)phenyl]-8-[(3-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 72204743
1-(4-Isoquinolin-4-ylpiperazin-1-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 155516901
1-(4-Isoquinolin-4-ylpiperazin-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 155525917
6-(4-Methylphenyl)-2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]pyridazin-3-one
CID 168297078
2-(1-propan-2-ylpyrazol-4-yl)-9-pyrazol-1-yl-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335440
US10696655, Example 92
CID 132169301

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one?
The IUPAC name of 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one (CID 118660683) is 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one is CC1CCC(=O)N1c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1.
What is the InChIKey of 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one?
The InChIKey is RNOLYKOYVYCIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-3-10-24(29)28(16)21-9-8-19-12-25-14-23(22(19)11-21)18-6-4-17(5-7-18)20-13-26-27(2)15-20/h4-9,11-16H,3,10H2,1-2H3.
What are the key properties of 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one?
5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one has a molecular weight of 382.47 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 118660683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).