3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

C13H14BrN3O3 — CID 154869565

IUPAC3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(CO)COC1)c1nc(Br)n2ccccc12
InChIInChI=1S/C13H14BrN3O3/c14-12-16-10(9-3-1-2-4-17(9)12)11(19)15-5-13(6-18)7-20-8-13/h1-4,18H,5-8H2,(H,15,19)
InChIKeyBMOBZGBPHKXDPM-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.84
Rot. Bonds4

About 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 154869565) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID154869565
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(CO)COC1)c1nc(Br)n2ccccc12
InChIInChI=1S/C13H14BrN3O3/c14-12-16-10(9-3-1-2-4-17(9)12)11(19)15-5-13(6-18)7-20-8-13/h1-4,18H,5-8H2,(H,15,19)
InChIKeyBMOBZGBPHKXDPM-UHFFFAOYSA-N
XLogP0.84
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110631484
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 57453264
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 173128485
3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171926378
5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide
CID 136516861
6-[[3-(hydroxymethyl)oxetan-3-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 166289686
3-ethyl-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674606
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 143722186
3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984055
3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171925666
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 154869565) is 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCC1(CO)COC1)c1nc(Br)n2ccccc12.
What is the InChIKey of 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BMOBZGBPHKXDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c14-12-16-10(9-3-1-2-4-17(9)12)11(19)15-5-13(6-18)7-20-8-13/h1-4,18H,5-8H2,(H,15,19).
What are the key properties of 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 340.18 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 154869565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).