[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

C15H20N4O3S — CID 119650736

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCNCC1CCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C15H20N4O3S/c1-16-10-11-6-5-9-18(11)14(20)13-12-7-3-4-8-19(12)15(17-13)23(2,21)22/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3
InChIKeyKMLKILCRJVLZLH-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.56
Rot. Bonds4

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

[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (PubChem CID 119650736) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
PubChem CID119650736
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
SMILESCNCC1CCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C15H20N4O3S/c1-16-10-11-6-5-9-18(11)14(20)13-12-7-3-4-8-19(12)15(17-13)23(2,21)22/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3
InChIKeyKMLKILCRJVLZLH-UHFFFAOYSA-N
XLogP0.56
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 51094587
tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
CID 52832197
tert-butyl N-[[(2R)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
CID 52832198
[(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
1-[4-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]ethanone
CID 47839617
(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 47803850
N-[3-(methylamino)propyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119432312
(2-ethylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109068501
[(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
1-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066389
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone (CID 119650736) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is CNCC1CCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
The InChIKey is KMLKILCRJVLZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-16-10-11-6-5-9-18(11)14(20)13-12-7-3-4-8-19(12)15(17-13)23(2,21)22/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone has a molecular weight of 336.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone is sourced from PubChem (CID 119650736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).