5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C20H19N5O2 — CID 171345117

IUPAC5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccc(C)nc3)cc21
InChIInChI=1S/C20H19N5O2/c1-3-24-18-10-15(19(26)22-12-14-5-4-13(2)21-11-14)6-7-16(18)25-17(20(24)27)8-9-23-25/h4-11H,3,12H2,1-2H3,(H,22,26)
InChIKeyJPGYINYMAURPDS-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.30
Rot. Bonds4

About 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 171345117) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID171345117
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccc(C)nc3)cc21
InChIInChI=1S/C20H19N5O2/c1-3-24-18-10-15(19(26)22-12-14-5-4-13(2)21-11-14)6-7-16(18)25-17(20(24)27)8-9-23-25/h4-11H,3,12H2,1-2H3,(H,22,26)
InChIKeyJPGYINYMAURPDS-UHFFFAOYSA-N
XLogP2.30
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide with MolForge

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Related Compounds

5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186584
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
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
5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171352839
5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
5-ethyl-N-(5-fluoro-2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186610
5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186706
8-acetamido-5-ethyl-4-oxo-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 169095148
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186572

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 171345117) is 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccc(C)nc3)cc21.
What is the InChIKey of 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is JPGYINYMAURPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-24-18-10-15(19(26)22-12-14-5-4-13(2)21-11-14)6-7-16(18)25-17(20(24)27)8-9-23-25/h4-11H,3,12H2,1-2H3,(H,22,26).
What are the key properties of 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 171345117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).