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

C17H25N3O2S — CID 163917548

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

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

tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate (PubChem CID 163917548) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
PubChem CID163917548
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Nametert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
SMILESCSc1nc(C(C)(C)NC(=O)OC(C)(C)C)n2cccc(C)c12
InChIInChI=1S/C17H25N3O2S/c1-11-9-8-10-20-12(11)13(23-7)18-14(20)17(5,6)19-15(21)22-16(2,3)4/h8-10H,1-7H3,(H,19,21)
InChIKeyQXOKRCNLXFFIOL-UHFFFAOYSA-N
XLogP4.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
CID 162356516
tert-butyl-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamic acid
CID 167525518
tert-butyl 6-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346698
tert-butyl 2-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346696
tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide
CID 145079686
tert-butyl 9-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3,5-dihydro-2H-pyrido[4,3-f][1,4]oxazepine-4-carboxylate
CID 121339632
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261
tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398
tert-butyl (1R,5S)-6-[2-(1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-2-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166949784
tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
CID 144745265
tert-butyl 6-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123719543
N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123247051

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate (CID 163917548) is tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate is CSc1nc(C(C)(C)NC(=O)OC(C)(C)C)n2cccc(C)c12.
What is the InChIKey of tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
The InChIKey is QXOKRCNLXFFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-9-8-10-20-12(11)13(23-7)18-14(20)17(5,6)19-15(21)22-16(2,3)4/h8-10H,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate has a molecular weight of 335.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 163917548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).