N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C17H21N5O2 — CID 53186461

IUPACN-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)n(C)c(=O)c1ccnn12
InChIInChI=1S/C17H21N5O2/c1-20(2)10-4-8-18-16(23)12-5-6-13-15(11-12)21(3)17(24)14-7-9-19-22(13)14/h5-7,9,11H,4,8,10H2,1-3H3,(H,18,23)
InChIKeyYVUBGVSIMMFTTD-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.87
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186461) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186461
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)n(C)c(=O)c1ccnn12
InChIInChI=1S/C17H21N5O2/c1-20(2)10-4-8-18-16(23)12-5-6-13-15(11-12)21(3)17(24)14-7-9-19-22(13)14/h5-7,9,11H,4,8,10H2,1-3H3,(H,18,23)
InChIKeyYVUBGVSIMMFTTD-UHFFFAOYSA-N
XLogP0.87
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577
5-ethyl-4-oxo-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186625
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186461) is N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is CN(C)CCCNC(=O)c1ccc2c(c1)n(C)c(=O)c1ccnn12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is YVUBGVSIMMFTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-20(2)10-4-8-18-16(23)12-5-6-13-15(11-12)21(3)17(24)14-7-9-19-22(13)14/h5-7,9,11H,4,8,10H2,1-3H3,(H,18,23).
What are the key properties of N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).