(3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

C17H17F3N4O2S — CID 169061186

IUPAC(3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)c2c(n1)N(O)CS2
InChIInChI=1S/C17H17F3N4O2S/c1-10-8-26-6-5-23(10)13-7-12(14-16(22-13)24(25)9-27-14)11-3-2-4-21-15(11)17(18,19)20/h2-4,7,10,25H,5-6,8-9H2,1H3/t10-/m1/s1
InChIKeyUZOXDYUUTLLYND-SNVBAGLBSA-N
MW398.41 g/mol
LogP3.65
Rot. Bonds2

About (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

(3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine (PubChem CID 169061186) has the molecular formula C17H17F3N4O2S and a molecular weight of 398.41 g/mol. Its IUPAC name is (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
PubChem CID169061186
Molecular FormulaC17H17F3N4O2S
Molecular Weight398.41 g/mol
Exact Mass398.10
IUPAC Name(3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)c2c(n1)N(O)CS2
InChIInChI=1S/C17H17F3N4O2S/c1-10-8-26-6-5-23(10)13-7-12(14-16(22-13)24(25)9-27-14)11-3-2-4-21-15(11)17(18,19)20/h2-4,7,10,25H,5-6,8-9H2,1H3/t10-/m1/s1
InChIKeyUZOXDYUUTLLYND-SNVBAGLBSA-N
XLogP3.65
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one
CID 130344638
(3S)-3-methyl-4-[4-[2-[2-(trifluoromethyl)-3-pyridinyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 135240110
(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 95629224
2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240090
2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 171390138
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 151175498
2-(3-methylmorpholin-4-yl)pyridine-3-carboxamide
CID 155353856
3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 135242342
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 137417745
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane
CID 167555090
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine (CID 169061186) is (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)c2c(n1)N(O)CS2.
What is the InChIKey of (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The InChIKey is UZOXDYUUTLLYND-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17F3N4O2S/c1-10-8-26-6-5-23(10)13-7-12(14-16(22-13)24(25)9-27-14)11-3-2-4-21-15(11)17(18,19)20/h2-4,7,10,25H,5-6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
(3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine has a molecular weight of 398.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-hydroxy-7-[2-(trifluoromethyl)-3-pyridinyl]-2H-[1,3]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 169061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).