N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide

C26H16F3N7O2S — CID 168984880

IUPACN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(C(F)(F)F)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C26H16F3N7O2S/c1-13-7-16(17-8-21(26(27,28)29)32-12-20(17)38-2)18(10-31-13)23(37)36-25-35-22-24(39-25)34-19(11-33-22)15-5-3-14(9-30)4-6-15/h3-8,10-12H,1-2H3,(H,33,35,36,37)
InChIKeyQMGXZDUCIITEJS-UHFFFAOYSA-N
MW547.52 g/mol
LogP5.67
Rot. Bonds5

About N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide (PubChem CID 168984880) has the molecular formula C26H16F3N7O2S and a molecular weight of 547.52 g/mol. Its IUPAC name is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide
PubChem CID168984880
Molecular FormulaC26H16F3N7O2S
Molecular Weight547.52 g/mol
Exact Mass547.10
IUPAC NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(C(F)(F)F)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C26H16F3N7O2S/c1-13-7-16(17-8-21(26(27,28)29)32-12-20(17)38-2)18(10-31-13)23(37)36-25-35-22-24(39-25)34-19(11-33-22)15-5-3-14(9-30)4-6-15/h3-8,10-12H,1-2H3,(H,33,35,36,37)
InChIKeyQMGXZDUCIITEJS-UHFFFAOYSA-N
XLogP5.67
TPSA126.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.52
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide (CID 168984880) is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide is COc1cnc(C(F)(F)F)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1.
What is the InChIKey of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide?
The InChIKey is QMGXZDUCIITEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F3N7O2S/c1-13-7-16(17-8-21(26(27,28)29)32-12-20(17)38-2)18(10-31-13)23(37)36-25-35-22-24(39-25)34-19(11-33-22)15-5-3-14(9-30)4-6-15/h3-8,10-12H,1-2H3,(H,33,35,36,37).
What are the key properties of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide?
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide has a molecular weight of 547.52 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).