N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C20H26N6O2 — CID 53186549

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc3c(c2)n(C)c(=O)c2ccnn23)CC1
InChIInChI=1S/C20H26N6O2/c1-3-24-10-12-25(13-11-24)9-8-21-19(27)15-4-5-16-18(14-15)23(2)20(28)17-6-7-22-26(16)17/h4-7,14H,3,8-13H2,1-2H3,(H,21,27)
InChIKeyOMAHJKMNAPSIGP-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.55
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186549) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186549
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc3c(c2)n(C)c(=O)c2ccnn23)CC1
InChIInChI=1S/C20H26N6O2/c1-3-24-10-12-25(13-11-24)9-8-21-19(27)15-4-5-16-18(14-15)23(2)20(28)17-6-7-22-26(16)17/h4-7,14H,3,8-13H2,1-2H3,(H,21,27)
InChIKeyOMAHJKMNAPSIGP-UHFFFAOYSA-N
XLogP0.55
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186461
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186476
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186556
N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186550
5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186561
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577
5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186584
5-ethyl-4-oxo-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186625
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
5-ethyl-N-(5-fluoro-2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186610

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186549) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is CCN1CCN(CCNC(=O)c2ccc3c(c2)n(C)c(=O)c2ccnn23)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is OMAHJKMNAPSIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-24-10-12-25(13-11-24)9-8-21-19(27)15-4-5-16-18(14-15)23(2)20(28)17-6-7-22-26(16)17/h4-7,14H,3,8-13H2,1-2H3,(H,21,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).