8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone

C22H33N3O2 — CID 145079717

IUPAC8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone
SMILESCC(=O)C1CNCCOC1.Cc1cccn2c(C3(C(C)C)CCC3)ncc12
InChIInChI=1S/C15H20N2.C7H13NO2/c1-11(2)15(7-5-8-15)14-16-10-13-12(3)6-4-9-17(13)14;1-6(9)7-4-8-2-3-10-5-7/h4,6,9-11H,5,7-8H2,1-3H3;7-8H,2-5H2,1H3
InChIKeyOWYHYTDQKDKRPM-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.53
Rot. Bonds3

About 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone

8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone (PubChem CID 145079717) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone.

Molecular Properties

Compound Name8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone
PubChem CID145079717
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone
SMILESCC(=O)C1CNCCOC1.Cc1cccn2c(C3(C(C)C)CCC3)ncc12
InChIInChI=1S/C15H20N2.C7H13NO2/c1-11(2)15(7-5-8-15)14-16-10-13-12(3)6-4-9-17(13)14;1-6(9)7-4-8-2-3-10-5-7/h4,6,9-11H,5,7-8H2,1-3H3;7-8H,2-5H2,1H3
InChIKeyOWYHYTDQKDKRPM-UHFFFAOYSA-N
XLogP3.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide
CID 121346738
(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide
CID 121346560
8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117146255
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]piperazine-2-carboxamide
CID 178028099
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-2-carboxamide;hydrochloride
CID 175904542
2-(aminomethyl)-3-hydroxy-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]propanamide
CID 146613868
1,4-oxazepan-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone;hydrochloride
CID 163341356
3-morpholin-3-ylimidazo[1,5-a]pyridin-8-ol
CID 105473853
2-(3-azabicyclo[3.2.1]octan-8-yl)-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide
CID 166856727
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
CID 56911408
8-methyl-3-(oxan-2-yl)imidazo[1,5-a]pyridine
CID 117146548
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-4-(oxetan-3-yl)piperazine-2-carboxamide
CID 178028101

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone?
The IUPAC name of 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone (CID 145079717) is 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone.
What is the SMILES notation for 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone?
The canonical SMILES for 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone is CC(=O)C1CNCCOC1.Cc1cccn2c(C3(C(C)C)CCC3)ncc12.
What is the InChIKey of 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone?
The InChIKey is OWYHYTDQKDKRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C7H13NO2/c1-11(2)15(7-5-8-15)14-16-10-13-12(3)6-4-9-17(13)14;1-6(9)7-4-8-2-3-10-5-7/h4,6,9-11H,5,7-8H2,1-3H3;7-8H,2-5H2,1H3.
What are the key properties of 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone?
8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone has a molecular weight of 371.53 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(1-propan-2-ylcyclobutyl)imidazo[1,5-a]pyridine;1-(1,4-oxazepan-6-yl)ethanone is sourced from PubChem (CID 145079717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).