3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide

C34H30N12O5S2 — CID 156817141

IUPAC3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3cnc(S(=O)CCc4ccc(-c5cnc(N)c(C(=O)Nc6ccc(S(N)(=O)=O)nc6)n5)cc4)nc3)n2)cc1
InChIInChI=1S/C34H30N12O5S2/c1-19-2-6-21(7-3-19)25-17-39-31(36)29(45-25)33(48)44-24-15-41-34(42-16-24)52(49)13-12-20-4-8-22(9-5-20)26-18-40-30(35)28(46-26)32(47)43-23-10-11-27(38-14-23)53(37,50)51/h2-11,14-18H,12-13H2,1H3,(H2,35,40)(H2,36,39)(H,43,47)(H,44,48)(H2,37,50,51)
InChIKeyQOXDAYAJPIVJCX-UHFFFAOYSA-N
MW750.83 g/mol
LogP2.76
Rot. Bonds11

About 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide

3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 156817141) has the molecular formula C34H30N12O5S2 and a molecular weight of 750.83 g/mol. Its IUPAC name is 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID156817141
Molecular FormulaC34H30N12O5S2
Molecular Weight750.83 g/mol
Exact Mass750.19
IUPAC Name3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3cnc(S(=O)CCc4ccc(-c5cnc(N)c(C(=O)Nc6ccc(S(N)(=O)=O)nc6)n5)cc4)nc3)n2)cc1
InChIInChI=1S/C34H30N12O5S2/c1-19-2-6-21(7-3-19)25-17-39-31(36)29(45-25)33(48)44-24-15-41-34(42-16-24)52(49)13-12-20-4-8-22(9-5-20)26-18-40-30(35)28(46-26)32(47)43-23-10-11-27(38-14-23)53(37,50)51/h2-11,14-18H,12-13H2,1H3,(H2,35,40)(H2,36,39)(H,43,47)(H,44,48)(H2,37,50,51)
InChIKeyQOXDAYAJPIVJCX-UHFFFAOYSA-N
XLogP2.76
TPSA277.70 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.83
LogP ≤ 52.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide 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

N-[3-[5-[2-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-but-3-en-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]-2-fluorobenzenesulfonamide
CID 91457137
N-[(6-amino-1,5-naphthyridin-3-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 171501363
1-[2-(Benzenesulfonyl)piperazin-1-yl]-3-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-one
CID 69184532
3-amino-6-(4-methylphenyl)-N-(6-sulfamoyl-3-pyridinyl)pyrazine-2-carboxamide
CID 156816508
3-amino-N-[4-[2-[4-[5-amino-6-[(2-methylsulfonylpyrimidin-5-yl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfonimidoyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 156816613
3-amino-6-(4-methylphenyl)-N-(6-sulfinamoyl-3-pyridinyl)pyrazine-2-carboxamide
CID 156817180
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide
CID 156817214
3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide
CID 156817269
3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 157368061
3-amino-6-(4-methylphenyl)-N-(6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide
CID 157620960
3-amino-6-[4-[2-[4-(diethylamino)piperidin-1-yl]ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 157660765
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone;2-methylsulfonylpyrimidin-5-amine
CID 157808127

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide (CID 156817141) is 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(-c2cnc(N)c(C(=O)Nc3cnc(S(=O)CCc4ccc(-c5cnc(N)c(C(=O)Nc6ccc(S(N)(=O)=O)nc6)n5)cc4)nc3)n2)cc1.
What is the InChIKey of 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is QOXDAYAJPIVJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N12O5S2/c1-19-2-6-21(7-3-19)25-17-39-31(36)29(45-25)33(48)44-24-15-41-34(42-16-24)52(49)13-12-20-4-8-22(9-5-20)26-18-40-30(35)28(46-26)32(47)43-23-10-11-27(38-14-23)53(37,50)51/h2-11,14-18H,12-13H2,1H3,(H2,35,40)(H2,36,39)(H,43,47)(H,44,48)(H2,37,50,51).
What are the key properties of 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide?
3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 750.83 g/mol, XLogP of 2.76, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156817141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).