5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one

C22H23N5O — CID 71260645

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one
SMILESCN1CCN(Cc2cc3c(=O)n(-c4ccccc4)nc-3n3ccccc23)CC1
InChIInChI=1S/C22H23N5O/c1-24-11-13-25(14-12-24)16-17-15-19-21(26-10-6-5-9-20(17)26)23-27(22(19)28)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyWDMAOJGERQRRBD-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.34
Rot. Bonds3

About 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one

5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one (PubChem CID 71260645) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one
PubChem CID71260645
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one
SMILESCN1CCN(Cc2cc3c(=O)n(-c4ccccc4)nc-3n3ccccc23)CC1
InChIInChI=1S/C22H23N5O/c1-24-11-13-25(14-12-24)16-17-15-19-21(26-10-6-5-9-20(17)26)23-27(22(19)28)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyWDMAOJGERQRRBD-UHFFFAOYSA-N
XLogP2.34
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one (CID 71260645) is 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one is CN1CCN(Cc2cc3c(=O)n(-c4ccccc4)nc-3n3ccccc23)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one?
The InChIKey is WDMAOJGERQRRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-24-11-13-25(14-12-24)16-17-15-19-21(26-10-6-5-9-20(17)26)23-27(22(19)28)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one?
5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one has a molecular weight of 373.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one is sourced from PubChem (CID 71260645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).