5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine

C24H23F3N6O3S2 — CID 131985182

IUPAC5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESC[C@H](Oc1nc2ccc(-c3ccc(S(C)(=O)=O)nc3)nc2s1)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H23F3N6O3S2/c1-14(15-7-9-33(10-8-15)22-29-12-17(13-30-22)24(25,26)27)36-23-32-19-5-4-18(31-21(19)37-23)16-3-6-20(28-11-16)38(2,34)35/h3-6,11-15H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyNJRYLWOOFPENAJ-AWEZNQCLSA-N
MW564.62 g/mol
LogP4.65
Rot. Bonds6

About 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine

5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 131985182) has the molecular formula C24H23F3N6O3S2 and a molecular weight of 564.62 g/mol. Its IUPAC name is 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID131985182
Molecular FormulaC24H23F3N6O3S2
Molecular Weight564.62 g/mol
Exact Mass564.12
IUPAC Name5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESC[C@H](Oc1nc2ccc(-c3ccc(S(C)(=O)=O)nc3)nc2s1)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H23F3N6O3S2/c1-14(15-7-9-33(10-8-15)22-29-12-17(13-30-22)24(25,26)27)36-23-32-19-5-4-18(31-21(19)37-23)16-3-6-20(28-11-16)38(2,34)35/h3-6,11-15H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyNJRYLWOOFPENAJ-AWEZNQCLSA-N
XLogP4.65
TPSA111.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.62
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (CID 131985182) is 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is C[C@H](Oc1nc2ccc(-c3ccc(S(C)(=O)=O)nc3)nc2s1)C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is NJRYLWOOFPENAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23F3N6O3S2/c1-14(15-7-9-33(10-8-15)22-29-12-17(13-30-22)24(25,26)27)36-23-32-19-5-4-18(31-21(19)37-23)16-3-6-20(28-11-16)38(2,34)35/h3-6,11-15H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?
5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 564.62 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylsulfonyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 131985182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).