tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid

C17H25N3O2S — CID 167525518

IUPACtert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid
SMILESCSc1nc(C(C)(C)N(C(=O)O)C(C)(C)C)n2cccc(C)c12
InChIInChI=1S/C17H25N3O2S/c1-11-9-8-10-19-12(11)13(23-7)18-14(19)17(5,6)20(15(21)22)16(2,3)4/h8-10H,1-7H3,(H,21,22)
InChIKeyMUJBLKDIURXXMY-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.38
Rot. Bonds3

About tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid

tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid (PubChem CID 167525518) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid
PubChem CID167525518
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Nametert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid
SMILESCSc1nc(C(C)(C)N(C(=O)O)C(C)(C)C)n2cccc(C)c12
InChIInChI=1S/C17H25N3O2S/c1-11-9-8-10-19-12(11)13(23-7)18-14(19)17(5,6)20(15(21)22)16(2,3)4/h8-10H,1-7H3,(H,21,22)
InChIKeyMUJBLKDIURXXMY-UHFFFAOYSA-N
XLogP4.38
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid (CID 167525518) is tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid is CSc1nc(C(C)(C)N(C(=O)O)C(C)(C)C)n2cccc(C)c12.
What is the InChIKey of tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid?
The InChIKey is MUJBLKDIURXXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-9-8-10-19-12(11)13(23-7)18-14(19)17(5,6)20(15(21)22)16(2,3)4/h8-10H,1-7H3,(H,21,22).
What are the key properties of tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid?
tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid has a molecular weight of 335.47 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 167525518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).