1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one

C27H34N6O3S — CID 144979915

IUPAC1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one
SMILESCC1C(=O)N(C)C2=CNC(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)C=C2N1Cc1ccccc1
InChIInChI=1S/C27H34N6O3S/c1-20-27(34)31(3)25-18-28-26(17-24(25)33(20)19-21-7-5-4-6-8-21)29-22-9-11-23(12-10-22)37(35,36)32-15-13-30(2)14-16-32/h4-12,17-18,20,26,28-29H,13-16,19H2,1-3H3
InChIKeyZQFVOMWVOPWDBI-UHFFFAOYSA-N
MW522.68 g/mol
LogP2.05
Rot. Bonds6

About 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one

1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 144979915) has the molecular formula C27H34N6O3S and a molecular weight of 522.68 g/mol. Its IUPAC name is 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one
PubChem CID144979915
Molecular FormulaC27H34N6O3S
Molecular Weight522.68 g/mol
Exact Mass522.24
IUPAC Name1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one
SMILESCC1C(=O)N(C)C2=CNC(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)C=C2N1Cc1ccccc1
InChIInChI=1S/C27H34N6O3S/c1-20-27(34)31(3)25-18-28-26(17-24(25)33(20)19-21-7-5-4-6-8-21)29-22-9-11-23(12-10-22)37(35,36)32-15-13-30(2)14-16-32/h4-12,17-18,20,26,28-29H,13-16,19H2,1-3H3
InChIKeyZQFVOMWVOPWDBI-UHFFFAOYSA-N
XLogP2.05
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.68
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[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

1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-2H-pyrido[3,4-b]pyrazin-3-one
CID 118607961
2-benzyl-3-(4-morpholin-4-ylsulfonylanilino)-3H-isoindol-1-one
CID 20866638
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55600588
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
(2S)-4-benzyl-8-(4-fluorophenyl)sulfonyl-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145891
4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
CID 62148455
(2S)-2-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-phenylpropanamide
CID 99967643
(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186077
4-(chloromethyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 169172264
N-[4-(4-benzyl-3,5-dimethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 110657741

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one (CID 144979915) is 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one is CC1C(=O)N(C)C2=CNC(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)C=C2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is ZQFVOMWVOPWDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3S/c1-20-27(34)31(3)25-18-28-26(17-24(25)33(20)19-21-7-5-4-6-8-21)29-22-9-11-23(12-10-22)37(35,36)32-15-13-30(2)14-16-32/h4-12,17-18,20,26,28-29H,13-16,19H2,1-3H3.
What are the key properties of 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one?
1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 522.68 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-dimethyl-7-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-6,7-dihydro-2H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 144979915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).