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

C25H15ClF3N5O2S — CID 177108921

IUPACN-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnc(C(F)(F)F)cc1C(=O)Nc1nc2ncc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C25H15ClF3N5O2S/c1-36-19-5-3-2-4-15(19)17-11-30-20(25(27,28)29)10-16(17)22(35)34-24-33-21-23(37-24)32-18(12-31-21)13-6-8-14(26)9-7-13/h2-12H,1H3,(H,31,33,34,35)
InChIKeyDOXRUKRAJSWZNH-UHFFFAOYSA-N
MW541.94 g/mol
LogP6.75
Rot. Bonds5

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

N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 177108921) has the molecular formula C25H15ClF3N5O2S and a molecular weight of 541.94 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID177108921
Molecular FormulaC25H15ClF3N5O2S
Molecular Weight541.94 g/mol
Exact Mass541.06
IUPAC NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnc(C(F)(F)F)cc1C(=O)Nc1nc2ncc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C25H15ClF3N5O2S/c1-36-19-5-3-2-4-15(19)17-11-30-20(25(27,28)29)10-16(17)22(35)34-24-33-21-23(37-24)32-18(12-31-21)13-6-8-14(26)9-7-13/h2-12H,1H3,(H,31,33,34,35)
InChIKeyDOXRUKRAJSWZNH-UHFFFAOYSA-N
XLogP6.75
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.94
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-2-(2-methoxyphenyl)pyridine-3-carboxamide
CID 168984835
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-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155342632
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
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 168984844
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
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46963664
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33172817
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353937

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide (CID 177108921) is N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide is COc1ccccc1-c1cnc(C(F)(F)F)cc1C(=O)Nc1nc2ncc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is DOXRUKRAJSWZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF3N5O2S/c1-36-19-5-3-2-4-15(19)17-11-30-20(25(27,28)29)10-16(17)22(35)34-24-33-21-23(37-24)32-18(12-31-21)13-6-8-14(26)9-7-13/h2-12H,1H3,(H,31,33,34,35).
What are the key properties of N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 541.94 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-5-(2-methoxyphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 177108921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).