1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide

C17H16N6O — CID 46187165

IUPAC1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c3c2CCc2nccnc2-3)n1
InChIInChI=1S/C17H16N6O/c1-10-4-3-5-13(20-10)21-17(24)14-11-6-7-12-15(19-9-8-18-12)16(11)23(2)22-14/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,24)
InChIKeyRQZMLVWSFNGCLE-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.93
Rot. Bonds2

About 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide

1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide (PubChem CID 46187165) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide
PubChem CID46187165
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c3c2CCc2nccnc2-3)n1
InChIInChI=1S/C17H16N6O/c1-10-4-3-5-13(20-10)21-17(24)14-11-6-7-12-15(19-9-8-18-12)16(11)23(2)22-14/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,24)
InChIKeyRQZMLVWSFNGCLE-UHFFFAOYSA-N
XLogP1.93
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide?
The IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide (CID 46187165) is 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide is Cc1cccc(NC(=O)c2nn(C)c3c2CCc2nccnc2-3)n1.
What is the InChIKey of 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide?
The InChIKey is RQZMLVWSFNGCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-10-4-3-5-13(20-10)21-17(24)14-11-6-7-12-15(19-9-8-18-12)16(11)23(2)22-14/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,24).
What are the key properties of 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide?
1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydropyrazolo[5,4-f]quinoxaline-3-carboxamide is sourced from PubChem (CID 46187165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).