3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide

C20H22N4O3S — CID 154854752

IUPAC3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide
SMILESCC1(C)CC(c2ccccc2)CN1C(=O)c1nc(S(N)(=O)=O)c2ccccn12
InChIInChI=1S/C20H22N4O3S/c1-20(2)12-15(14-8-4-3-5-9-14)13-24(20)19(25)17-22-18(28(21,26)27)16-10-6-7-11-23(16)17/h3-11,15H,12-13H2,1-2H3,(H2,21,26,27)
InChIKeyJZETUPIHSNQKLC-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.39
Rot. Bonds3

About 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide

3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide (PubChem CID 154854752) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide
PubChem CID154854752
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide
SMILESCC1(C)CC(c2ccccc2)CN1C(=O)c1nc(S(N)(=O)=O)c2ccccn12
InChIInChI=1S/C20H22N4O3S/c1-20(2)12-15(14-8-4-3-5-9-14)13-24(20)19(25)17-22-18(28(21,26)27)16-10-6-7-11-23(16)17/h3-11,15H,12-13H2,1-2H3,(H2,21,26,27)
InChIKeyJZETUPIHSNQKLC-UHFFFAOYSA-N
XLogP2.39
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide?
The IUPAC name of 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide (CID 154854752) is 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide.
What is the SMILES notation for 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide?
The canonical SMILES for 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide is CC1(C)CC(c2ccccc2)CN1C(=O)c1nc(S(N)(=O)=O)c2ccccn12.
What is the InChIKey of 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide?
The InChIKey is JZETUPIHSNQKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-20(2)12-15(14-8-4-3-5-9-14)13-24(20)19(25)17-22-18(28(21,26)27)16-10-6-7-11-23(16)17/h3-11,15H,12-13H2,1-2H3,(H2,21,26,27).
What are the key properties of 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide?
3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-4-phenylpyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-sulfonamide is sourced from PubChem (CID 154854752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).