5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one

C22H28N6O2 — CID 53186536

IUPAC5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
SMILESCN1CCC(N2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)c3ccnn34)CC2)CC1
InChIInChI=1S/C22H28N6O2/c1-24-9-6-17(7-10-24)26-11-13-27(14-12-26)21(29)16-3-4-18-20(15-16)25(2)22(30)19-5-8-23-28(18)19/h3-5,8,15,17H,6-7,9-14H2,1-2H3
InChIKeyWGBUPZMVQJPWSM-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.04
Rot. Bonds2

About 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one

5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 53186536) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
PubChem CID53186536
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
SMILESCN1CCC(N2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)c3ccnn34)CC2)CC1
InChIInChI=1S/C22H28N6O2/c1-24-9-6-17(7-10-24)26-11-13-27(14-12-26)21(29)16-3-4-18-20(15-16)25(2)22(30)19-5-8-23-28(18)19/h3-5,8,15,17H,6-7,9-14H2,1-2H3
InChIKeyWGBUPZMVQJPWSM-UHFFFAOYSA-N
XLogP1.04
TPSA66.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
CID 50840864
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119059947
5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186637
5-benzyl-7-(4-butylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 91903264
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186549
5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 53186731
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 143049045
9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 42606245
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
CID 110800287
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one (CID 53186536) is 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one is CN1CCC(N2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)c3ccnn34)CC2)CC1.
What is the InChIKey of 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is WGBUPZMVQJPWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-24-9-6-17(7-10-24)26-11-13-27(14-12-26)21(29)16-3-4-18-20(15-16)25(2)22(30)19-5-8-23-28(18)19/h3-5,8,15,17H,6-7,9-14H2,1-2H3.
What are the key properties of 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 408.51 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 53186536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).