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

C52H46ClN11O4S2 — CID 160788604

IUPAC3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(Cl)nc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(N(C)C)nc2s1
InChIInChI=1S/C27H26N6O2S.C25H20ClN5O2S/c1-16-9-10-19(30-24(34)17-7-6-8-18(11-17)27(2,3)15-28)12-20(16)31-25(35)22-13-21-26(36-22)32-23(14-29-21)33(4)5;1-14-7-8-17(29-22(32)15-5-4-6-16(9-15)25(2,3)13-27)10-18(14)30-23(33)20-11-19-24(34-20)31-21(26)12-28-19/h6-14H,1-5H3,(H,30,34)(H,31,35);4-12H,1-3H3,(H,29,32)(H,30,33)
InChIKeySBNVHRJARNJXMN-UHFFFAOYSA-N
MW988.60 g/mol
LogP11.33
Rot. Bonds11

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

3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 160788604) has the molecular formula C52H46ClN11O4S2 and a molecular weight of 988.60 g/mol. Its IUPAC name is 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID160788604
Molecular FormulaC52H46ClN11O4S2
Molecular Weight988.60 g/mol
Exact Mass987.29
IUPAC Name3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(Cl)nc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(N(C)C)nc2s1
InChIInChI=1S/C27H26N6O2S.C25H20ClN5O2S/c1-16-9-10-19(30-24(34)17-7-6-8-18(11-17)27(2,3)15-28)12-20(16)31-25(35)22-13-21-26(36-22)32-23(14-29-21)33(4)5;1-14-7-8-17(29-22(32)15-5-4-6-16(9-15)25(2,3)13-27)10-18(14)30-23(33)20-11-19-24(34-20)31-21(26)12-28-19/h6-14H,1-5H3,(H,30,34)(H,31,35);4-12H,1-3H3,(H,29,32)(H,30,33)
InChIKeySBNVHRJARNJXMN-UHFFFAOYSA-N
XLogP11.33
TPSA218.78 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500988.60
LogP ≤ 511.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-[5-[1-[3-(2-cyanopropan-2-yl)phenyl]ethenylamino]-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]thieno[2,3-b]pyrazine-6-carboxamide
CID 70648310
5-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-N-methylpyridine-3,5-dicarboxamide
CID 69443345
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 68847839
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[[2-[[(E)-3-phenylprop-2-enoyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]phenyl]benzamide
CID 59507066
N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-2-(3,4-dihydroxypiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 69444206
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(2-formyl-1,3-thiazol-5-yl)-2-methylbenzamide
CID 87763451
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide;formamide
CID 138690897
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
CID 159697821
2-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25151133
N-[5-[3-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-methylanilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-3-carboxamide
CID 89065587
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 69227970
2-[(4,6-dichloropyrimidin-2-yl)amino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 89230533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide (CID 160788604) is 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(Cl)nc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(N(C)C)nc2s1.
What is the InChIKey of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is SBNVHRJARNJXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S.C25H20ClN5O2S/c1-16-9-10-19(30-24(34)17-7-6-8-18(11-17)27(2,3)15-28)12-20(16)31-25(35)22-13-21-26(36-22)32-23(14-29-21)33(4)5;1-14-7-8-17(29-22(32)15-5-4-6-16(9-15)25(2,3)13-27)10-18(14)30-23(33)20-11-19-24(34-20)31-21(26)12-28-19/h6-14H,1-5H3,(H,30,34)(H,31,35);4-12H,1-3H3,(H,29,32)(H,30,33).
What are the key properties of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide?
3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 988.60 g/mol, XLogP of 11.33, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(dimethylamino)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 160788604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).