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

C26H18N6O2S — CID 168984935

IUPACN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C26H18N6O2S/c1-15-11-19(18-5-3-4-6-22(18)34-2)20(13-28-15)24(33)32-26-31-23-25(35-26)30-21(14-29-23)17-9-7-16(12-27)8-10-17/h3-11,13-14H,1-2H3,(H,29,31,32,33)
InChIKeyUGZUWBCEDQXDCZ-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.26
Rot. Bonds5

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

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 168984935) has the molecular formula C26H18N6O2S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID168984935
Molecular FormulaC26H18N6O2S
Molecular Weight478.54 g/mol
Exact Mass478.12
IUPAC NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C26H18N6O2S/c1-15-11-19(18-5-3-4-6-22(18)34-2)20(13-28-15)24(33)32-26-31-23-25(35-26)30-21(14-29-23)17-9-7-16(12-27)8-10-17/h3-11,13-14H,1-2H3,(H,29,31,32,33)
InChIKeyUGZUWBCEDQXDCZ-UHFFFAOYSA-N
XLogP5.26
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.26
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-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 168984803
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
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-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 177108921
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
4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide
CID 176833592
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-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834401
4-(5-cyano-2-methoxyphenyl)-N-(5-cyclobutylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 176832862
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 176832751

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 168984935) is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-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-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccccc1-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-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is UGZUWBCEDQXDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O2S/c1-15-11-19(18-5-3-4-6-22(18)34-2)20(13-28-15)24(33)32-26-31-23-25(35-26)30-21(14-29-23)17-9-7-16(12-27)8-10-17/h3-11,13-14H,1-2H3,(H,29,31,32,33).
What are the key properties of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 5.26, 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-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).