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

C25H16N6O2S — CID 168984835

IUPACN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ncccc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C25H16N6O2S/c1-33-20-7-3-2-5-17(20)21-18(6-4-12-27-21)23(32)31-25-30-22-24(34-25)29-19(14-28-22)16-10-8-15(13-26)9-11-16/h2-12,14H,1H3,(H,28,30,31,32)
InChIKeySSJRIEKWALCJFN-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.95
Rot. Bonds5

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

N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 168984835) has the molecular formula C25H16N6O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID168984835
Molecular FormulaC25H16N6O2S
Molecular Weight464.51 g/mol
Exact Mass464.11
IUPAC NameN-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ncccc1C(=O)Nc1nc2ncc(-c3ccc(C#N)cc3)nc2s1
InChIInChI=1S/C25H16N6O2S/c1-33-20-7-3-2-5-17(20)21-18(6-4-12-27-21)23(32)31-25-30-22-24(34-25)29-19(14-28-22)16-10-8-15(13-26)9-11-16/h2-12,14H,1H3,(H,28,30,31,32)
InChIKeySSJRIEKWALCJFN-UHFFFAOYSA-N
XLogP4.95
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.95
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
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]-4-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 168984803
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-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
4-(3-methoxy-2-pyridinyl)benzonitrile
CID 67291948
N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(5-cyano-2-methoxyphenyl)-6-isocyanopyridine-3-carboxamide
CID 176607434
N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 175679881
6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 151692836
N-(5-cyano-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90603685
2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 8873523

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide (CID 168984835) is N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1-c1ncccc1C(=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]-2-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is SSJRIEKWALCJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O2S/c1-33-20-7-3-2-5-17(20)21-18(6-4-12-27-21)23(32)31-25-30-22-24(34-25)29-19(14-28-22)16-10-8-15(13-26)9-11-16/h2-12,14H,1H3,(H,28,30,31,32).
What are the key properties of N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide?
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 4.95, 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]-2-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 168984835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).