4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile

C24H23N7O — CID 162753645

IUPAC4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C#N)cc43)cncc2n(C)c1=O
InChIInChI=1S/C24H23N7O/c1-15-7-19-22(30(4)24(15)32)12-26-13-23(19)31-6-5-28(2)20-9-18(16(10-25)8-21(20)31)17-11-27-29(3)14-17/h7-9,11-14H,5-6H2,1-4H3
InChIKeyVKARUGYLNHYTQI-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.10
Rot. Bonds2

About 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile

4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 162753645) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
PubChem CID162753645
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C#N)cc43)cncc2n(C)c1=O
InChIInChI=1S/C24H23N7O/c1-15-7-19-22(30(4)24(15)32)12-26-13-23(19)31-6-5-28(2)20-9-18(16(10-25)8-21(20)31)17-11-27-29(3)14-17/h7-9,11-14H,5-6H2,1-4H3
InChIKeyVKARUGYLNHYTQI-UHFFFAOYSA-N
XLogP3.10
TPSA82.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile with MolForge

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Related Compounds

4-[1,3-dimethyl-2-oxo-7-(2-piperidin-4-ylethoxy)quinolin-5-yl]-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 176986611
acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 145091106
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 177223817
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753730
4-[1,3-dimethyl-7-[(1-methylpiperidin-3-yl)methoxy]-2-oxoquinolin-5-yl]-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 178139254
7-(1-iodo-3,6-dihydro-2H-pyridin-4-yl)-4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxaline-6-carbonitrile
CID 167009109
1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one
CID 162754043
7-cyano-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-N,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide
CID 162753983
[1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-2-oxoquinolin-7-yl] trifluoromethanesulfonate
CID 162753706
1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane
CID 162753841
1-[7-cyano-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-4-methyl-2,3-dihydroquinoxalin-6-yl]piperidine-4-carboxylic acid
CID 162753953
acetylene;1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;octane
CID 145091183

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile (CID 162753645) is 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile is Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C#N)cc43)cncc2n(C)c1=O.
What is the InChIKey of 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is VKARUGYLNHYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-15-7-19-22(30(4)24(15)32)12-26-13-23(19)31-6-5-28(2)20-9-18(16(10-25)8-21(20)31)17-11-27-29(3)14-17/h7-9,11-14H,5-6H2,1-4H3.
What are the key properties of 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 425.50 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 162753645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).