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

C14H20BrN3O — CID 111466426

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cnc2ccc(Br)cn12
InChIInChI=1S/C14H20BrN3O/c1-10(2)5-12(9-19)16-6-13-7-17-14-4-3-11(15)8-18(13)14/h3-4,7-8,10,12,16,19H,5-6,9H2,1-2H3
InChIKeyZKHCFCMEIXJHQF-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.59
Rot. Bonds6

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

2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 111466426) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol
PubChem CID111466426
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cnc2ccc(Br)cn12
InChIInChI=1S/C14H20BrN3O/c1-10(2)5-12(9-19)16-6-13-7-17-14-4-3-11(15)8-18(13)14/h3-4,7-8,10,12,16,19H,5-6,9H2,1-2H3
InChIKeyZKHCFCMEIXJHQF-UHFFFAOYSA-N
XLogP2.59
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115651289
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylpropan-2-amine
CID 115651962
(2S)-2-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]propan-1-ol
CID 103773842
[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol
CID 111432960
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]cyclopentanamine
CID 117256170
3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824989
(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314
(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
CID 94578982
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
CID 154958995
2-[(7-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-3-(furan-3-yl)propan-1-ol
CID 166298271
2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380311

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol (CID 111466426) is 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NCc1cnc2ccc(Br)cn12.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is ZKHCFCMEIXJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10(2)5-12(9-19)16-6-13-7-17-14-4-3-11(15)8-18(13)14/h3-4,7-8,10,12,16,19H,5-6,9H2,1-2H3.
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol?
2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 326.24 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 111466426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).