5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one

C26H29N5O2 — CID 91903265

IUPAC5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
SMILESCC(C)CN1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1
InChIInChI=1S/C26H29N5O2/c1-19(2)17-28-12-14-29(15-13-28)25(32)21-8-9-22-24(16-21)30(18-20-6-4-3-5-7-20)26(33)23-10-11-27-31(22)23/h3-11,16,19H,12-15,17-18H2,1-2H3
InChIKeyMVOWESJFBHSPNS-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.11
Rot. Bonds5

About 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one

5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 91903265) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
PubChem CID91903265
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
SMILESCC(C)CN1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1
InChIInChI=1S/C26H29N5O2/c1-19(2)17-28-12-14-29(15-13-28)25(32)21-8-9-22-24(16-21)30(18-20-6-4-3-5-7-20)26(33)23-10-11-27-31(22)23/h3-11,16,19H,12-15,17-18H2,1-2H3
InChIKeyMVOWESJFBHSPNS-UHFFFAOYSA-N
XLogP3.11
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-7-(4-butylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 91903264
5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 53186731
5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186637
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
(1-benzyl-2,3-dimethylindol-5-yl)-(4-benzylpiperazin-1-yl)methanone
CID 1040631
5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186734
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
[4-(1-benzyl-2,3-dimethylindole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074923
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one (CID 91903265) is 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one is CC(C)CN1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1.
What is the InChIKey of 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is MVOWESJFBHSPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19(2)17-28-12-14-29(15-13-28)25(32)21-8-9-22-24(16-21)30(18-20-6-4-3-5-7-20)26(33)23-10-11-27-31(22)23/h3-11,16,19H,12-15,17-18H2,1-2H3.
What are the key properties of 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 443.55 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 91903265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).