(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

C14H17N3O4S — CID 47803850

IUPAC(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCC1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCO1
InChIInChI=1S/C14H17N3O4S/c1-10-9-16(7-8-21-10)13(18)12-11-5-3-4-6-17(11)14(15-12)22(2,19)20/h3-6,10H,7-9H2,1-2H3
InChIKeyVGYOODCHHPFSRA-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.60
Rot. Bonds2

About (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (PubChem CID 47803850) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
PubChem CID47803850
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCC1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCO1
InChIInChI=1S/C14H17N3O4S/c1-10-9-16(7-8-21-10)13(18)12-11-5-3-4-6-17(11)14(15-12)22(2,19)20/h3-6,10H,7-9H2,1-2H3
InChIKeyVGYOODCHHPFSRA-UHFFFAOYSA-N
XLogP0.60
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
CID 47839617
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride
CID 120657041
(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 51094587
1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521646
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
[3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-morpholin-4-ylmethanone
CID 109069309
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 119650736
[(2S)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508515
[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508516
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 94695408
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
N-(4-aminocyclohexyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119477193

Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The IUPAC name of (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (CID 47803850) is (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.
What is the SMILES notation for (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The canonical SMILES for (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is CC1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCO1.
What is the InChIKey of (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The InChIKey is VGYOODCHHPFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-9-16(7-8-21-10)13(18)12-11-5-3-4-6-17(11)14(15-12)22(2,19)20/h3-6,10H,7-9H2,1-2H3.
What are the key properties of (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone has a molecular weight of 323.37 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is sourced from PubChem (CID 47803850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).