5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile

C15H19N5O2S — CID 135240884

IUPAC5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile
SMILESCC1(C)CN(c2cc(C#N)cc3cncn23)CCN1S(C)(=O)=O
InChIInChI=1S/C15H19N5O2S/c1-15(2)10-18(4-5-20(15)23(3,21)22)14-7-12(8-16)6-13-9-17-11-19(13)14/h6-7,9,11H,4-5,10H2,1-3H3
InChIKeyYBYFMMPPTDRODN-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.07
Rot. Bonds2

About 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile

5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile (PubChem CID 135240884) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile
PubChem CID135240884
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile
SMILESCC1(C)CN(c2cc(C#N)cc3cncn23)CCN1S(C)(=O)=O
InChIInChI=1S/C15H19N5O2S/c1-15(2)10-18(4-5-20(15)23(3,21)22)14-7-12(8-16)6-13-9-17-11-19(13)14/h6-7,9,11H,4-5,10H2,1-3H3
InChIKeyYBYFMMPPTDRODN-UHFFFAOYSA-N
XLogP1.07
TPSA81.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2,2-dimethyl-4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]phenyl]methanesulfonamide
CID 135241041
imidazo[1,5-a]pyridine-5,7-dicarbonitrile
CID 130066229
5-chloroimidazo[1,5-a]pyridine-7-carbonitrile
CID 130066376
3-bromo-5-(4-methylsulfonylpiperazin-1-yl)benzonitrile
CID 102816322
4-[3-chloro-5-(4-methylsulfonylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzonitrile
CID 171743887
4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 139009470
4-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 53189592
1-[(3-methylimidazol-4-yl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methylamino]-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 118142703
5-bromo-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 167852521
3-(4-pyridazin-4-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 136571304
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 120777230
4-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 103698242

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile (CID 135240884) is 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile is CC1(C)CN(c2cc(C#N)cc3cncn23)CCN1S(C)(=O)=O.
What is the InChIKey of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is YBYFMMPPTDRODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-15(2)10-18(4-5-20(15)23(3,21)22)14-7-12(8-16)6-13-9-17-11-19(13)14/h6-7,9,11H,4-5,10H2,1-3H3.
What are the key properties of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile?
5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 333.42 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 135240884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).