(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone

C24H20N6OS — CID 16623346

IUPAC(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cc12
InChIInChI=1S/C24H20N6OS/c1-15-17-14-20(32-24(17)30(27-15)16-8-4-3-5-9-16)23(31)29-13-12-28(2)21-22(29)26-19-11-7-6-10-18(19)25-21/h3-11,14H,12-13H2,1-2H3
InChIKeyXQTOVQLZFOLJDL-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.44
Rot. Bonds2

About (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone

(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 16623346) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID16623346
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC Name(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cc12
InChIInChI=1S/C24H20N6OS/c1-15-17-14-20(32-24(17)30(27-15)16-8-4-3-5-9-16)23(31)29-13-12-28(2)21-22(29)26-19-11-7-6-10-18(19)25-21/h3-11,14H,12-13H2,1-2H3
InChIKeyXQTOVQLZFOLJDL-UHFFFAOYSA-N
XLogP4.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (CID 16623346) is (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cc12.
What is the InChIKey of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is XQTOVQLZFOLJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c1-15-17-14-20(32-24(17)30(27-15)16-8-4-3-5-9-16)23(31)29-13-12-28(2)21-22(29)26-19-11-7-6-10-18(19)25-21/h3-11,14H,12-13H2,1-2H3.
What are the key properties of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 440.53 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 16623346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).