N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride

C36H27ClF4N8O3S2 — CID 159480158

IUPACN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1.Cl
InChIInChI=1S/C22H14F4N4O2S.C14H12N4OS.ClH/c1-11-2-4-13(29-19(31)12-3-5-15(23)14(8-12)22(24,25)26)9-16(11)30-20(32)18-10-17-21(33-18)28-7-6-27-17;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;/h2-10H,1H3,(H,29,31)(H,30,32);2-7H,15H2,1H3,(H,18,19);1H
InChIKeyXPXFKRPJEBTUQR-UHFFFAOYSA-N
MW795.24 g/mol
LogP8.92
Rot. Bonds6

About N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (PubChem CID 159480158) has the molecular formula C36H27ClF4N8O3S2 and a molecular weight of 795.24 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
PubChem CID159480158
Molecular FormulaC36H27ClF4N8O3S2
Molecular Weight795.24 g/mol
Exact Mass794.13
IUPAC NameN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1.Cl
InChIInChI=1S/C22H14F4N4O2S.C14H12N4OS.ClH/c1-11-2-4-13(29-19(31)12-3-5-15(23)14(8-12)22(24,25)26)9-16(11)30-20(32)18-10-17-21(33-18)28-7-6-27-17;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;/h2-10H,1H3,(H,29,31)(H,30,32);2-7H,15H2,1H3,(H,18,19);1H
InChIKeyXPXFKRPJEBTUQR-UHFFFAOYSA-N
XLogP8.92
TPSA164.88 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.24
LogP ≤ 58.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride 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-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-(pyridin-3-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide
CID 25153943
N-(2-methyl-4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)quinoline-2-carboxamide
CID 7087648
2,4-difluoro-N-(2-methyl-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}phenyl)benzamide
CID 7087642
3-amino-6-pyrazin-2-yl-4-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 172011798
N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 54754636
N-(5-(3-(2-cyanopropan-2-yl)benzamido)-2,4-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 54754768
N-[4-[4-(1,1,2,2,2-pentafluoroethyl)-5-(2-piperidin-1-ylethylcarbamoyl)-1,3-thiazol-2-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 56943175
N-[2-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide
CID 57664431
6-(3-fluorophenyl)-N-[2-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide
CID 57664436
N-[2-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide
CID 57664440
N-[2-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-3-ylbenzamide
CID 57664452
N-[2-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-(1-oxidopyridin-1-ium-3-yl)benzamide
CID 57664469

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (CID 159480158) is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?
The InChIKey is XPXFKRPJEBTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O2S.C14H12N4OS.ClH/c1-11-2-4-13(29-19(31)12-3-5-15(23)14(8-12)22(24,25)26)9-16(11)30-20(32)18-10-17-21(33-18)28-7-6-27-17;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;/h2-10H,1H3,(H,29,31)(H,30,32);2-7H,15H2,1H3,(H,18,19);1H.
What are the key properties of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride has a molecular weight of 795.24 g/mol, XLogP of 8.92, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 159480158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).