7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C22H30N4O — CID 18386617

IUPAC7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC(CC)N1CC(=O)Nc2c1cc(C)nc2Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N4O/c1-7-17(8-2)26-12-19(27)24-21-18(26)11-16(6)23-22(21)25-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12H2,1-6H3,(H,23,25)(H,24,27)
InChIKeyFATGYLZGJKECFB-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.01
Rot. Bonds5

About 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 18386617) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID18386617
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC(CC)N1CC(=O)Nc2c1cc(C)nc2Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N4O/c1-7-17(8-2)26-12-19(27)24-21-18(26)11-16(6)23-22(21)25-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12H2,1-6H3,(H,23,25)(H,24,27)
InChIKeyFATGYLZGJKECFB-UHFFFAOYSA-N
XLogP5.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-1-pentan-3-yl-N-(2,4,6-trimethylphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 22253394
1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 22004330
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
CID 18386643
3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine
CID 18386611
3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051964
3-heptan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051965
6-methyl-5-(2,4,6-trimethylanilino)-2H-1,2,4-triazin-3-one
CID 4071477
4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 79293757
6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
CID 22291304
5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 15485774
3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine
CID 142655771
3,6-dimethyl-1-pentan-3-yl-4-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 22253373

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 18386617) is 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is CCC(CC)N1CC(=O)Nc2c1cc(C)nc2Nc1c(C)cc(C)cc1C.
What is the InChIKey of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is FATGYLZGJKECFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-7-17(8-2)26-12-19(27)24-21-18(26)11-16(6)23-22(21)25-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12H2,1-6H3,(H,23,25)(H,24,27).
What are the key properties of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 366.51 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 18386617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).