4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

C26H31N7O2 — CID 122337980

IUPAC4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4cc(-n5nc(C)cc5C)nc(C)n4)CC3)CC2=O)cc1
InChIInChI=1S/C26H31N7O2/c1-17-5-7-22(8-6-17)32-16-21(14-25(32)34)26(35)31-11-9-30(10-12-31)23-15-24(28-20(4)27-23)33-19(3)13-18(2)29-33/h5-8,13,15,21H,9-12,14,16H2,1-4H3
InChIKeyJPBQQCSGMIRDMI-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.60
Rot. Bonds4

About 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 122337980) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID122337980
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4cc(-n5nc(C)cc5C)nc(C)n4)CC3)CC2=O)cc1
InChIInChI=1S/C26H31N7O2/c1-17-5-7-22(8-6-17)32-16-21(14-25(32)34)26(35)31-11-9-30(10-12-31)23-15-24(28-20(4)27-23)33-19(3)13-18(2)29-33/h5-8,13,15,21H,9-12,14,16H2,1-4H3
InChIKeyJPBQQCSGMIRDMI-UHFFFAOYSA-N
XLogP2.60
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91631587
4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122332538
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122339233
4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 108731260
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 851670
1-(3,4-dimethylphenyl)-4-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332252
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
1-(4-fluorophenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332541
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
1-(3-methoxyphenyl)-4-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122342387
4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 108741906

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 122337980) is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCN(c4cc(-n5nc(C)cc5C)nc(C)n4)CC3)CC2=O)cc1.
What is the InChIKey of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is JPBQQCSGMIRDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-17-5-7-22(8-6-17)32-16-21(14-25(32)34)26(35)31-11-9-30(10-12-31)23-15-24(28-20(4)27-23)33-19(3)13-18(2)29-33/h5-8,13,15,21H,9-12,14,16H2,1-4H3.
What are the key properties of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 473.58 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122337980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).