N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine

C14H18BrN3O — CID 97160388

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
SMILESCN(Cc1cnc2ccc(Br)cn12)C[C@H]1CCOC1
InChIInChI=1S/C14H18BrN3O/c1-17(7-11-4-5-19-10-11)9-13-6-16-14-3-2-12(15)8-18(13)14/h2-3,6,8,11H,4-5,7,9-10H2,1H3/t11-/m1/s1
InChIKeyAOARQMXWLDWAKN-LLVKDONJSA-N
MW324.22 g/mol
LogP2.57
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine

N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine (PubChem CID 97160388) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
PubChem CID97160388
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
SMILESCN(Cc1cnc2ccc(Br)cn12)C[C@H]1CCOC1
InChIInChI=1S/C14H18BrN3O/c1-17(7-11-4-5-19-10-11)9-13-6-16-14-3-2-12(15)8-18(13)14/h2-3,6,8,11H,4-5,7,9-10H2,1H3/t11-/m1/s1
InChIKeyAOARQMXWLDWAKN-LLVKDONJSA-N
XLogP2.57
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5260647
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CID 23537418
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CID 650748
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CID 1154254
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CID 51361303
CID 51361303
CID 2795547
CID 2795547
CID 7157366
CID 7157366
CID 12428960
CID 12428960
CID 12637722
CID 12637722
CID 71579383
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CID 28325024
CID 28325024
CID 717369
CID 717369

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine (CID 97160388) is N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine is CN(Cc1cnc2ccc(Br)cn12)C[C@H]1CCOC1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The InChIKey is AOARQMXWLDWAKN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-17(7-11-4-5-19-10-11)9-13-6-16-14-3-2-12(15)8-18(13)14/h2-3,6,8,11H,4-5,7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine has a molecular weight of 324.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine is sourced from PubChem (CID 97160388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).