1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol

C15H21N3O2 — CID 107405231

IUPAC1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nc3ccccn3c2CO)CC1
InChIInChI=1S/C15H21N3O2/c1-15(20)6-4-8-17(10-7-15)14-12(11-19)18-9-3-2-5-13(18)16-14/h2-3,5,9,19-20H,4,6-8,10-11H2,1H3
InChIKeyFVAPZHCZTHKXPE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.57
Rot. Bonds2

About 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol

1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol (PubChem CID 107405231) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol
PubChem CID107405231
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nc3ccccn3c2CO)CC1
InChIInChI=1S/C15H21N3O2/c1-15(20)6-4-8-17(10-7-15)14-12(11-19)18-9-3-2-5-13(18)16-14/h2-3,5,9,19-20H,4,6-8,10-11H2,1H3
InChIKeyFVAPZHCZTHKXPE-UHFFFAOYSA-N
XLogP1.57
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43593030
3-methyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-ol
CID 103356941
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107083876
4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione
CID 66085333
2-[2-(3-methoxy-3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 107395888
[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478216
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 63015742
1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
CID 81103549
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 81474579
N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 61419303
N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 61419254

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol?
The IUPAC name of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol (CID 107405231) is 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol is CC1(O)CCCN(c2nc3ccccn3c2CO)CC1.
What is the InChIKey of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol?
The InChIKey is FVAPZHCZTHKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(20)6-4-8-17(10-7-15)14-12(11-19)18-9-3-2-5-13(18)16-14/h2-3,5,9,19-20H,4,6-8,10-11H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol?
1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol has a molecular weight of 275.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol is sourced from PubChem (CID 107405231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).