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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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).