1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide

C18H19BrN4O — CID 166361870

IUPAC1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)c2nc(Br)c3ccccn23)c1
InChIInChI=1S/C18H19BrN4O/c1-22(2)12-14-7-5-6-13(10-14)11-20-18(24)17-21-16(19)15-8-3-4-9-23(15)17/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyZNQKSOVRVZXOTK-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.09
Rot. Bonds5

About 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide

1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 166361870) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID166361870
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)c2nc(Br)c3ccccn23)c1
InChIInChI=1S/C18H19BrN4O/c1-22(2)12-14-7-5-6-13(10-14)11-20-18(24)17-21-16(19)15-8-3-4-9-23(15)17/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyZNQKSOVRVZXOTK-UHFFFAOYSA-N
XLogP3.09
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
3-N-[(3-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065876
1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070357
1-N-benzyl-1-N-methyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070440
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070297
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
3-N-cyclohexyl-1-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068639
6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166
3-N-benzyl-1-N-(2-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070292
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 166361870) is 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide is CN(C)Cc1cccc(CNC(=O)c2nc(Br)c3ccccn23)c1.
What is the InChIKey of 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZNQKSOVRVZXOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-22(2)12-14-7-5-6-13(10-14)11-20-18(24)17-21-16(19)15-8-3-4-9-23(15)17/h3-10H,11-12H2,1-2H3,(H,20,24).
What are the key properties of 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide?
1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166361870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).