[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol

C19H22BrN5O — CID 10476985

IUPAC[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1cc(NCc2cccnc2)c2ncc(Br)n2c1
InChIInChI=1S/C19H22BrN5O/c20-18-11-23-19-17(22-10-14-4-3-6-21-9-14)8-16(12-25(18)19)24-7-2-1-5-15(24)13-26/h3-4,6,8-9,11-12,15,22,26H,1-2,5,7,10,13H2
InChIKeyBHYKMXYYLQZJNH-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.46
Rot. Bonds5

About [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol

[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol (PubChem CID 10476985) has the molecular formula C19H22BrN5O and a molecular weight of 416.32 g/mol. Its IUPAC name is [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol
PubChem CID10476985
Molecular FormulaC19H22BrN5O
Molecular Weight416.32 g/mol
Exact Mass415.10
IUPAC Name[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1cc(NCc2cccnc2)c2ncc(Br)n2c1
InChIInChI=1S/C19H22BrN5O/c20-18-11-23-19-17(22-10-14-4-3-6-21-9-14)8-16(12-25(18)19)24-7-2-1-5-15(24)13-26/h3-4,6,8-9,11-12,15,22,26H,1-2,5,7,10,13H2
InChIKeyBHYKMXYYLQZJNH-UHFFFAOYSA-N
XLogP3.46
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(8-amino-3-bromoimidazo[1,2-a]pyridin-6-yl)pyrrolidin-2-yl]methanol
CID 23593534
3-bromo-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10091097
[(2S)-1-pyridin-3-ylpiperidin-2-yl]methanol
CID 86336410
3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 20814323
ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate
CID 11385612
3-bromo-N-(pyridin-3-ylmethyl)-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067166
[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
CID 89439842
CID 71148289
CID 71148289
CID 71156365
CID 71156365
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112937236
5-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-(pyridin-3-ylmethylamino)benzoic acid
CID 7431160
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406

Frequently Asked Questions

What is the IUPAC name of [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol (CID 10476985) is [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1cc(NCc2cccnc2)c2ncc(Br)n2c1.
What is the InChIKey of [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol?
The InChIKey is BHYKMXYYLQZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O/c20-18-11-23-19-17(22-10-14-4-3-6-21-9-14)8-16(12-25(18)19)24-7-2-1-5-15(24)13-26/h3-4,6,8-9,11-12,15,22,26H,1-2,5,7,10,13H2.
What are the key properties of [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol?
[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol has a molecular weight of 416.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 10476985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).