1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione

C23H26N4O2 — CID 22510415

IUPAC1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione
SMILESCc1ccc2c(cnn2C(=O)CCCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-18-10-11-21-19(16-18)17-24-27(21)23(29)9-5-8-22(28)26-14-12-25(13-15-26)20-6-3-2-4-7-20/h2-4,6-7,10-11,16-17H,5,8-9,12-15H2,1H3
InChIKeyXZUMEKVXSYHITG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.50
Rot. Bonds5

About 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione

1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione (PubChem CID 22510415) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione
PubChem CID22510415
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione
SMILESCc1ccc2c(cnn2C(=O)CCCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-18-10-11-21-19(16-18)17-24-27(21)23(29)9-5-8-22(28)26-14-12-25(13-15-26)20-6-3-2-4-7-20/h2-4,6-7,10-11,16-17H,5,8-9,12-15H2,1H3
InChIKeyXZUMEKVXSYHITG-UHFFFAOYSA-N
XLogP3.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
5-methyl-N-phenylindazole-1-carboxamide
CID 53002296
3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione?
The IUPAC name of 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione (CID 22510415) is 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione.
What is the SMILES notation for 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione?
The canonical SMILES for 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione is Cc1ccc2c(cnn2C(=O)CCCC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione?
The InChIKey is XZUMEKVXSYHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-10-11-21-19(16-18)17-24-27(21)23(29)9-5-8-22(28)26-14-12-25(13-15-26)20-6-3-2-4-7-20/h2-4,6-7,10-11,16-17H,5,8-9,12-15H2,1H3.
What are the key properties of 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione?
1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione has a molecular weight of 390.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione is sourced from PubChem (CID 22510415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).