5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one

C23H31N5O — CID 70474650

IUPAC5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one
SMILESCc1ccnc(N2CCN(CCCN3NC(C)C(c4ccccc4)C3=O)CC2)c1
InChIInChI=1S/C23H31N5O/c1-18-9-10-24-21(17-18)27-15-13-26(14-16-27)11-6-12-28-23(29)22(19(2)25-28)20-7-4-3-5-8-20/h3-5,7-10,17,19,22,25H,6,11-16H2,1-2H3
InChIKeyMBQNZNISFBSJFE-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.42
Rot. Bonds6

About 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one

5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one (PubChem CID 70474650) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one
PubChem CID70474650
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one
SMILESCc1ccnc(N2CCN(CCCN3NC(C)C(c4ccccc4)C3=O)CC2)c1
InChIInChI=1S/C23H31N5O/c1-18-9-10-24-21(17-18)27-15-13-26(14-16-27)11-6-12-28-23(29)22(19(2)25-28)20-7-4-3-5-8-20/h3-5,7-10,17,19,22,25H,6,11-16H2,1-2H3
InChIKeyMBQNZNISFBSJFE-UHFFFAOYSA-N
XLogP2.42
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one with MolForge

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Related Compounds

5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67374237
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine
CID 162408039
1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine
CID 50985482
1-benzyl-4-(4-methyl-2-pyridinyl)-1,4-diazepan-6-ol
CID 72919693
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
7-hydroxy-2-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]-3,4-dihydro-2H-1,4-benzothiazine-3-carbaldehyde
CID 174352154
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152
1-(benzenesulfonyl)-4-(4-methyl-2-pyridinyl)-1,4-diazepane
CID 136514751
5-methyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
CID 19023463
(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95728262
1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183869

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one?
The IUPAC name of 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one (CID 70474650) is 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one.
What is the SMILES notation for 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one?
The canonical SMILES for 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one is Cc1ccnc(N2CCN(CCCN3NC(C)C(c4ccccc4)C3=O)CC2)c1.
What is the InChIKey of 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one?
The InChIKey is MBQNZNISFBSJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-18-9-10-24-21(17-18)27-15-13-26(14-16-27)11-6-12-28-23(29)22(19(2)25-28)20-7-4-3-5-8-20/h3-5,7-10,17,19,22,25H,6,11-16H2,1-2H3.
What are the key properties of 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one?
5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one has a molecular weight of 393.54 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one is sourced from PubChem (CID 70474650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).