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

C39H34ClN9O3S2 — CID 160582957

IUPACN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2nccnc2s1.Cl
InChIInChI=1S/C25H21N5O2S.C14H12N4OS.ClH/c1-15-7-8-18(29-22(31)16-5-4-6-17(11-16)25(2,3)14-26)12-19(15)30-23(32)21-13-20-24(33-21)28-10-9-27-20;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;/h4-13H,1-3H3,(H,29,31)(H,30,32);2-7H,15H2,1H3,(H,18,19);1H
InChIKeyUKQLHYHCJXMASZ-UHFFFAOYSA-N
MW776.35 g/mol
LogP8.56
Rot. Bonds7

About N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)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-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (PubChem CID 160582957) has the molecular formula C39H34ClN9O3S2 and a molecular weight of 776.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)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-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
PubChem CID160582957
Molecular FormulaC39H34ClN9O3S2
Molecular Weight776.35 g/mol
Exact Mass775.19
IUPAC NameN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2nccnc2s1.Cl
InChIInChI=1S/C25H21N5O2S.C14H12N4OS.ClH/c1-15-7-8-18(29-22(31)16-5-4-6-17(11-16)25(2,3)14-26)12-19(15)30-23(32)21-13-20-24(33-21)28-10-9-27-20;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;/h4-13H,1-3H3,(H,29,31)(H,30,32);2-7H,15H2,1H3,(H,18,19);1H
InChIKeyUKQLHYHCJXMASZ-UHFFFAOYSA-N
XLogP8.56
TPSA188.67 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.35
LogP ≤ 58.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride with MolForge

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Related Compounds

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-[2-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide
CID 57664431
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
N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-2-(pyridin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
CID 67125584
N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 67125593
7-amino-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 67125644
N-[5-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 67125688
N-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 67125714
N-[5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 67125744

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)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-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (CID 160582957) is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)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-[[3-(2-cyanopropan-2-yl)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-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2nccnc2s1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?
The InChIKey is UKQLHYHCJXMASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S.C14H12N4OS.ClH/c1-15-7-8-18(29-22(31)16-5-4-6-17(11-16)25(2,3)14-26)12-19(15)30-23(32)21-13-20-24(33-21)28-10-9-27-20;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;/h4-13H,1-3H3,(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-[[3-(2-cyanopropan-2-yl)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-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride has a molecular weight of 776.35 g/mol, XLogP of 8.56, 7 rotatable bonds, 4 hydrogen bond donors, and 11 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-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 160582957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).