[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone

C23H19F3N4O2S — CID 123753312

IUPAC[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
SMILESCc1ccc(C(=O)N2CC3CC34CC(Oc3ccc(C(F)(F)F)cn3)C24)c(-c2nccs2)n1
InChIInChI=1S/C23H19F3N4O2S/c1-12-2-4-15(18(29-12)20-27-6-7-33-20)21(31)30-11-14-8-22(14)9-16(19(22)30)32-17-5-3-13(10-28-17)23(24,25)26/h2-7,10,14,16,19H,8-9,11H2,1H3
InChIKeyRVFQYWSQWQNNCO-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.61
Rot. Bonds4

About [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone

[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone (PubChem CID 123753312) has the molecular formula C23H19F3N4O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone.

Molecular Properties

Compound Name[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
PubChem CID123753312
Molecular FormulaC23H19F3N4O2S
Molecular Weight472.49 g/mol
Exact Mass472.12
IUPAC Name[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
SMILESCc1ccc(C(=O)N2CC3CC34CC(Oc3ccc(C(F)(F)F)cn3)C24)c(-c2nccs2)n1
InChIInChI=1S/C23H19F3N4O2S/c1-12-2-4-15(18(29-12)20-27-6-7-33-20)21(31)30-11-14-8-22(14)9-16(19(22)30)32-17-5-3-13(10-28-17)23(24,25)26/h2-7,10,14,16,19H,8-9,11H2,1H3
InChIKeyRVFQYWSQWQNNCO-UHFFFAOYSA-N
XLogP4.61
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The IUPAC name of [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone (CID 123753312) is [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone.
What is the SMILES notation for [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The canonical SMILES for [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone is Cc1ccc(C(=O)N2CC3CC34CC(Oc3ccc(C(F)(F)F)cn3)C24)c(-c2nccs2)n1.
What is the InChIKey of [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The InChIKey is RVFQYWSQWQNNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S/c1-12-2-4-15(18(29-12)20-27-6-7-33-20)21(31)30-11-14-8-22(14)9-16(19(22)30)32-17-5-3-13(10-28-17)23(24,25)26/h2-7,10,14,16,19H,8-9,11H2,1H3.
What are the key properties of [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone has a molecular weight of 472.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone is sourced from PubChem (CID 123753312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).