Basic information
- CAS
179556-43-5- Standard SMILES
CC(C)Cc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1- InChIKey
JKPIHCSBJFLPKX-UHFFFAOYSA-N- Molecular formula
- C25H33N5O3S
- Average molar mass
- 483.6 g/mol
- Monoisotopic mass
- 483.23041111
Overview
structure in first source
Names & identifiers
- Preferred name
- Pnu-103657
- IUPAC
- N-[2-[4-[methyl-[3-(2-methylpropyl)-2-pyridinyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Names & synonyms
X6EN57D2UPPNU-103657179556-43-54-Piperidinamine, N-methyl-N-(3-(2-methylpropyl)-2-pyridinyl)-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-PNU1036574-Piperidinamine, N-methyl-N-[3-(2-methylpropyl)-2-pyridinyl]-1-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-RefChem:929476PNU 103657UNII-X6EN57D2UPCHEMBL133469N-(2-(1-(4-((3-Isobutyl-pyridin-2-yl)-methyl-amino)-piperidin-1-yl)-methanoyl)-1H-indol-5-yl)-methanesulfonamideN-[2-(1-{4-[(3-Isobutyl-pyridin-2-yl)-methyl-amino]-piperidin-1-yl}-methanoyl)-1H-indol-5-yl]-methanesulfonamide
Show more names
SCHEMBL1981900DTXSID10939236BDBM50081623N-[2-(4-{METHYL[3-(2-METHYLPROPYL)PYRIDIN-2-YL]AMINO}PIPERIDINE-1-CARBONYL)-1H-INDOL-5-YL]METHANESULFONAMIDEMETHANESULFONAMIDE, N-(2-((4-(METHYL(3-(2-METHYLPROPYL)-2-PYRIDINYL)AMINO)-1-PIPERIDINYL)CARBONYL)-1H-INDOL-5-YL)-N-(2-((4-(METHYL(3-(2-METHYLPROPYL)-2-PYRIDINYL)AMINO)-1-PIPERIDINYL)CARBONYL)-1H-INDOL-5-YL)METHANESULFONAMIDEN-(2-{4-[(3-Isobutyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamideN-[2-[4-[(3-isobutyl-2-pyridyl)-methyl-amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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