7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

C22H16F3N5O2S — CID 67125644

IUPAC7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C22H16F3N5O2S/c1-11-5-6-14(29-19(31)12-3-2-4-13(9-12)22(23,24)25)10-15(11)30-20(32)18-16(26)17-21(33-18)28-8-7-27-17/h2-10H,26H2,1H3,(H,29,31)(H,30,32)
InChIKeyVWBJDZXZWVPHTJ-UHFFFAOYSA-N
MW471.46 g/mol
LogP5.11
Rot. Bonds4

About 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 67125644) has the molecular formula C22H16F3N5O2S and a molecular weight of 471.46 g/mol. Its IUPAC name is 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID67125644
Molecular FormulaC22H16F3N5O2S
Molecular Weight471.46 g/mol
Exact Mass471.10
IUPAC Name7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C22H16F3N5O2S/c1-11-5-6-14(29-19(31)12-3-2-4-13(9-12)22(23,24)25)10-15(11)30-20(32)18-16(26)17-21(33-18)28-8-7-27-17/h2-10H,26H2,1H3,(H,29,31)(H,30,32)
InChIKeyVWBJDZXZWVPHTJ-UHFFFAOYSA-N
XLogP5.11
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.46
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 67125644) is 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1sc2nccnc2c1N.
What is the InChIKey of 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is VWBJDZXZWVPHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2S/c1-11-5-6-14(29-19(31)12-3-2-4-13(9-12)22(23,24)25)10-15(11)30-20(32)18-16(26)17-21(33-18)28-8-7-27-17/h2-10H,26H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 471.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 67125644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).