tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate

C15H22FN3O2 — CID 144745265

IUPACtert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ncc2n1C=C(F)CC2
InChIInChI=1S/C15H22FN3O2/c1-14(2,3)21-13(20)18-15(4,5)12-17-8-11-7-6-10(16)9-19(11)12/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyHNICATFLMJIKQI-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate

tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate (PubChem CID 144745265) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
PubChem CID144745265
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Nametert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ncc2n1C=C(F)CC2
InChIInChI=1S/C15H22FN3O2/c1-14(2,3)21-13(20)18-15(4,5)12-17-8-11-7-6-10(16)9-19(11)12/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyHNICATFLMJIKQI-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
CID 177154667
CID 177154667
tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
CID 118336731
tert-butyl N-[2-[3-(2,2-difluoroethyl)imidazol-4-yl]propan-2-yl]carbamate
CID 114706880
tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
CID 167211985
tert-butyl N-[2-(3-methylimidazol-4-yl)propan-2-yl]carbamate
CID 114703715
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
CID 163917548
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736
tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
CID 117275063
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate (CID 144745265) is tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ncc2n1C=C(F)CC2.
What is the InChIKey of tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
The InChIKey is HNICATFLMJIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-14(2,3)21-13(20)18-15(4,5)12-17-8-11-7-6-10(16)9-19(11)12/h8-9H,6-7H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate has a molecular weight of 295.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-fluoro-7,8-dihydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 144745265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).