(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone

C17H23N3O2 — CID 110631084

IUPAC(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1nc(C(C)(C)C)n2ccccc12
InChIInChI=1S/C17H23N3O2/c1-12-11-22-10-9-19(12)15(21)14-13-7-5-6-8-20(13)16(18-14)17(2,3)4/h5-8,12H,9-11H2,1-4H3
InChIKeyNLKWFQLOACREBV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.49
Rot. Bonds1

About (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone

(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 110631084) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone
PubChem CID110631084
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1nc(C(C)(C)C)n2ccccc12
InChIInChI=1S/C17H23N3O2/c1-12-11-22-10-9-19(12)15(21)14-13-7-5-6-8-20(13)16(18-14)17(2,3)4/h5-8,12H,9-11H2,1-4H3
InChIKeyNLKWFQLOACREBV-UHFFFAOYSA-N
XLogP2.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylmorpholin-4-yl)-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 110631082
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110414706
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633201
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782
(4-aminoquinolin-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774608
(3-cyclohexylimidazo[1,5-a]pyridin-1-yl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110631205
1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
CID 146091978
[(3S)-3-methylmorpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone
CID 166278381
(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94200604
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110418675
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94095579

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone (CID 110631084) is (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1nc(C(C)(C)C)n2ccccc12.
What is the InChIKey of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is NLKWFQLOACREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-11-22-10-9-19(12)15(21)14-13-7-5-6-8-20(13)16(18-14)17(2,3)4/h5-8,12H,9-11H2,1-4H3.
What are the key properties of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone?
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 110631084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).