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

C27H18F3N5O2S — CID 67125584

IUPACN-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nc(-c3cccnc3)cnc2s1
InChIInChI=1S/C27H18F3N5O2S/c1-15-7-8-19(33-24(36)16-4-2-6-18(10-16)27(28,29)30)11-20(15)35-25(37)23-12-21-26(38-23)32-14-22(34-21)17-5-3-9-31-13-17/h2-14H,1H3,(H,33,36)(H,35,37)
InChIKeyQPORGDHJFOOSAA-UHFFFAOYSA-N
MW533.54 g/mol
LogP6.59
Rot. Bonds5

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

N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 67125584) has the molecular formula C27H18F3N5O2S and a molecular weight of 533.54 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID67125584
Molecular FormulaC27H18F3N5O2S
Molecular Weight533.54 g/mol
Exact Mass533.11
IUPAC NameN-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nc(-c3cccnc3)cnc2s1
InChIInChI=1S/C27H18F3N5O2S/c1-15-7-8-19(33-24(36)16-4-2-6-18(10-16)27(28,29)30)11-20(15)35-25(37)23-12-21-26(38-23)32-14-22(34-21)17-5-3-9-31-13-17/h2-14H,1H3,(H,33,36)(H,35,37)
InChIKeyQPORGDHJFOOSAA-UHFFFAOYSA-N
XLogP6.59
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.54
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide (CID 67125584) is N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2nc(-c3cccnc3)cnc2s1.
What is the InChIKey of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is QPORGDHJFOOSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N5O2S/c1-15-7-8-19(33-24(36)16-4-2-6-18(10-16)27(28,29)30)11-20(15)35-25(37)23-12-21-26(38-23)32-14-22(34-21)17-5-3-9-31-13-17/h2-14H,1H3,(H,33,36)(H,35,37).
What are the key properties of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?
N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 533.54 g/mol, XLogP of 6.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 67125584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).