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

C27H17F3N6O2S — CID 168984803

IUPACN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C27H17F3N6O2S/c1-14-9-18(19-10-17(27(28,29)30)7-8-22(19)38-2)20(12-32-14)24(37)36-26-35-23-25(39-26)34-21(13-33-23)16-5-3-15(11-31)4-6-16/h3-10,12-13H,1-2H3,(H,33,35,36,37)
InChIKeyZBSFAAGUWXWOCP-UHFFFAOYSA-N
MW546.53 g/mol
LogP6.28
Rot. Bonds5

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

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 168984803) has the molecular formula C27H17F3N6O2S and a molecular weight of 546.53 g/mol. Its IUPAC name is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID168984803
Molecular FormulaC27H17F3N6O2S
Molecular Weight546.53 g/mol
Exact Mass546.11
IUPAC NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C27H17F3N6O2S/c1-14-9-18(19-10-17(27(28,29)30)7-8-22(19)38-2)20(12-32-14)24(37)36-26-35-23-25(39-26)34-21(13-33-23)16-5-3-15(11-31)4-6-16/h3-10,12-13H,1-2H3,(H,33,35,36,37)
InChIKeyZBSFAAGUWXWOCP-UHFFFAOYSA-N
XLogP6.28
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.53
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 168984935
4-(5-chloro-2-methoxyphenyl)-N-[6-(5-cyano-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 168984795
4-(5-cyano-2-methoxyphenyl)-N-[6-(5-cyclopropyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 168984906
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 176511558
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide
CID 168984835
N-(6-chloro-[1,3]thiazolo[4,5-b]pyrazin-2-yl)-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 177237937
N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 177108921
4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 176833547
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(3-hydroxy-3-methylbut-1-ynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 176908386
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(3-methylcyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834363
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
CID 155342269
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-[(1R,2R)-2-methylcyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833484

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide (CID 168984803) is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide is COc1ccc(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-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ZBSFAAGUWXWOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N6O2S/c1-14-9-18(19-10-17(27(28,29)30)7-8-22(19)38-2)20(12-32-14)24(37)36-26-35-23-25(39-26)34-21(13-33-23)16-5-3-15(11-31)4-6-16/h3-10,12-13H,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-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 546.53 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).