1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol

C15H21N3O — CID 107408411

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C15H21N3O/c1-15(19)6-4-8-17(10-7-15)11-13-12-18-9-3-2-5-14(18)16-13/h2-3,5,9,12,19H,4,6-8,10-11H2,1H3
InChIKeyVFTIPUOGLSVNKA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.07
Rot. Bonds2

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol (PubChem CID 107408411) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
PubChem CID107408411
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C15H21N3O/c1-15(19)6-4-8-17(10-7-15)11-13-12-18-9-3-2-5-14(18)16-13/h2-3,5,9,12,19H,4,6-8,10-11H2,1H3
InChIKeyVFTIPUOGLSVNKA-UHFFFAOYSA-N
XLogP2.07
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837365
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
2-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64834447
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60820487
(2R)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393976
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol (CID 107408411) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol is CC1(O)CCCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol?
The InChIKey is VFTIPUOGLSVNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(19)6-4-8-17(10-7-15)11-13-12-18-9-3-2-5-14(18)16-13/h2-3,5,9,12,19H,4,6-8,10-11H2,1H3.
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol has a molecular weight of 259.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107408411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).