1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine

C12H16BrN3O — CID 117253182

IUPAC1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(Br)c2cccc(OC)n12
InChIInChI=1S/C12H16BrN3O/c1-8(14-2)7-10-15-12(13)9-5-4-6-11(17-3)16(9)10/h4-6,8,14H,7H2,1-3H3
InChIKeyQVHFJMPWISLHOP-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.26
Rot. Bonds4

About 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine

1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine (PubChem CID 117253182) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
PubChem CID117253182
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(Br)c2cccc(OC)n12
InChIInChI=1S/C12H16BrN3O/c1-8(14-2)7-10-15-12(13)9-5-4-6-11(17-3)16(9)10/h4-6,8,14H,7H2,1-3H3
InChIKeyQVHFJMPWISLHOP-UHFFFAOYSA-N
XLogP2.26
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117253004
methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252733
methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253238
1,5-dibromo-3-ethylimidazo[1,5-a]pyridine
CID 84744172
3-ethyl-5-methoxy-N-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552313
1-(1-bromo-8-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
CID 117254967
1-(5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 117253085
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
CID 84738148
3-ethyl-5-methoxyimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552261
1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine
CID 112552876
methyl 3-(2-aminopropyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117253236
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine (CID 117253182) is 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1nc(Br)c2cccc(OC)n12.
What is the InChIKey of 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine?
The InChIKey is QVHFJMPWISLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8(14-2)7-10-15-12(13)9-5-4-6-11(17-3)16(9)10/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine?
1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine has a molecular weight of 298.18 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117253182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).