2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol

C21H19F3N6O2S — CID 25149534

IUPAC2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
SMILESCOc1ccc(Nc2nc(C)cc(-n3ccc(-c4nccs4)n3)c2CCO)c(C(F)(F)F)n1
InChIInChI=1S/C21H19F3N6O2S/c1-12-11-16(30-8-5-15(29-30)20-25-7-10-33-20)13(6-9-31)19(26-12)27-14-3-4-17(32-2)28-18(14)21(22,23)24/h3-5,7-8,10-11,31H,6,9H2,1-2H3,(H,26,27)
InChIKeyRVSUCUKTPGOTHW-UHFFFAOYSA-N
MW476.48 g/mol
LogP4.40
Rot. Bonds7

About 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol

2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol (PubChem CID 25149534) has the molecular formula C21H19F3N6O2S and a molecular weight of 476.48 g/mol. Its IUPAC name is 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
PubChem CID25149534
Molecular FormulaC21H19F3N6O2S
Molecular Weight476.48 g/mol
Exact Mass476.12
IUPAC Name2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
SMILESCOc1ccc(Nc2nc(C)cc(-n3ccc(-c4nccs4)n3)c2CCO)c(C(F)(F)F)n1
InChIInChI=1S/C21H19F3N6O2S/c1-12-11-16(30-8-5-15(29-30)20-25-7-10-33-20)13(6-9-31)19(26-12)27-14-3-4-17(32-2)28-18(14)21(22,23)24/h3-5,7-8,10-11,31H,6,9H2,1-2H3,(H,26,27)
InChIKeyRVSUCUKTPGOTHW-UHFFFAOYSA-N
XLogP4.40
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol with MolForge

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Related Compounds

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
CID 25149533
[2-[2,4-bis(trifluoromethyl)anilino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]methanesulfonic acid
CID 25150350
N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
CID 25149719
4-[[3-(2-hydroxyethyl)-6-methyl-4-(3-pyridin-2-ylpyrazol-1-yl)-2-pyridinyl]amino]-3-(trifluoromethyl)benzonitrile
CID 25150248
2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole
CID 154542234
4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile
CID 25149252
2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 130464416
methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
CID 81494568
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
CID 115320492
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
CID 71543932
1-[[4-methyl-3-[[2-methyl-4-(1,3-thiazol-2-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59484164

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?
The IUPAC name of 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol (CID 25149534) is 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?
The canonical SMILES for 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol is COc1ccc(Nc2nc(C)cc(-n3ccc(-c4nccs4)n3)c2CCO)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?
The InChIKey is RVSUCUKTPGOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2S/c1-12-11-16(30-8-5-15(29-30)20-25-7-10-33-20)13(6-9-31)19(26-12)27-14-3-4-17(32-2)28-18(14)21(22,23)24/h3-5,7-8,10-11,31H,6,9H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?
2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol has a molecular weight of 476.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 25149534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).