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

C25H18F3N7O2S — CID 168984857

IUPAC4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C(F)(F)F)cn3)nc2s1
InChIInChI=1S/C25H18F3N7O2S/c1-12-6-15(16-7-13(2)30-11-20(16)37-3)17(9-29-12)22(36)35-24-34-21-23(38-24)33-19(10-32-21)18-5-4-14(8-31-18)25(26,27)28/h4-11H,1-3H3,(H,32,34,35,36)
InChIKeyMWLXCOWBQXKIOL-UHFFFAOYSA-N
MW537.53 g/mol
LogP5.50
Rot. Bonds5

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

4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 168984857) has the molecular formula C25H18F3N7O2S and a molecular weight of 537.53 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID168984857
Molecular FormulaC25H18F3N7O2S
Molecular Weight537.53 g/mol
Exact Mass537.12
IUPAC Name4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C(F)(F)F)cn3)nc2s1
InChIInChI=1S/C25H18F3N7O2S/c1-12-6-15(16-7-13(2)30-11-20(16)37-3)17(9-29-12)22(36)35-24-34-21-23(38-24)33-19(10-32-21)18-5-4-14(8-31-18)25(26,27)28/h4-11H,1-3H3,(H,32,34,35,36)
InChIKeyMWLXCOWBQXKIOL-UHFFFAOYSA-N
XLogP5.50
TPSA115.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-(5-Methoxy-3-pyridyl)-3-pyridyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 71819416
N-[5-(2-cyclopropylethynyl)-1,3-thiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-[2-[1-(dimethylcarbamoyl)cyclopropyl]ethynyl]pyridine-3-carboxamide
CID 168176185
N-[5-(2-cyclopropylethynyl)-1,3-thiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)pyridine-3-carboxamide
CID 168176513
6-[(Z)-1-amino-3-methyliminoprop-1-enyl]-N-[5-(2-cyclopropylethynyl)-4-methyl-1,3-thiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide
CID 168176675
6-(cyanomethyl)-N-[5-(2-cyclopropylethynyl)-1,3-thiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]pyridine-3-carboxamide
CID 168176755
[N-[5-[[5-(2-cyclopropylethynyl)-1,3-thiazol-2-yl]carbamoyl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-2-pyridinyl]-N-methylcarbamimidoyl] ethanimidate
CID 168176992
N-(6-(4-cyano-2-fluorophenyl)thiazolo[4,5-b]pyrazin-2-yl)-5''-methoxy-2'',6-dimethyl-[4,4''-bipyridine]-3-carboxamide
CID 168984784
Phenyl)thiazolo[4,5-b]pyrazin-2-yl)-6-methylpyridine-3-carboxamide
CID 168984793
N-(6-(4-cyanophenyl)thiazolo[4,5-b]pyrazin-2-yl)-3-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide
CID 168984799
N-(6-(4-cyanophenyl)thiazolo[4,5-b]pyrazin-2-yl)-4-(2-methoxy-5-(trifluoromethyl)phenyl)-6-methylpyridine-3-carboxamide
CID 168984803
N-(6-(4-cyano-3-fluorophenyl)thiazolo[4,5-b]pyrazin-2-yl)-3-(2-methoxyphenyl)isonicotinamide
CID 168984826
N-(6-(4-cyanophenyl)thiazolo[4,5-b]pyrazin-2-yl)-3-fluoro-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 168984843

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (CID 168984857) is 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(C(F)(F)F)cn3)nc2s1.
What is the InChIKey of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is MWLXCOWBQXKIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N7O2S/c1-12-6-15(16-7-13(2)30-11-20(16)37-3)17(9-29-12)22(36)35-24-34-21-23(38-24)33-19(10-32-21)18-5-4-14(8-31-18)25(26,27)28/h4-11H,1-3H3,(H,32,34,35,36).
What are the key properties of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 537.53 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 168984857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).