3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol

C14H20BrN3O2 — CID 111824989

IUPAC3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1cnc2ccc(Br)cn12
InChIInChI=1S/C14H20BrN3O2/c1-14(5-6-19,10-20-2)17-8-12-7-16-13-4-3-11(15)9-18(12)13/h3-4,7,9,17,19H,5-6,8,10H2,1-2H3
InChIKeyFIKTVTBNMIYEPI-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.97
Rot. Bonds7

About 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol

3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol (PubChem CID 111824989) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
PubChem CID111824989
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1cnc2ccc(Br)cn12
InChIInChI=1S/C14H20BrN3O2/c1-14(5-6-19,10-20-2)17-8-12-7-16-13-4-3-11(15)9-18(12)13/h3-4,7,9,17,19H,5-6,8,10H2,1-2H3
InChIKeyFIKTVTBNMIYEPI-UHFFFAOYSA-N
XLogP1.97
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol (CID 111824989) is 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol is COCC(C)(CCO)NCc1cnc2ccc(Br)cn12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The InChIKey is FIKTVTBNMIYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-14(5-6-19,10-20-2)17-8-12-7-16-13-4-3-11(15)9-18(12)13/h3-4,7,9,17,19H,5-6,8,10H2,1-2H3.
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol has a molecular weight of 342.24 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 111824989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).