4-Piperidinamine, N-(3-(methoxymethyl)-2-pyridinyl)-N-methyl-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-

HCID 484351

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Basic information

CAS: 179556-54-8
Standard SMILES: COCc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
InChIKey: UWOGACPKMAWKNQ-UHFFFAOYSA-N
Molecular formula: C23H29N5O4S
Average molar mass: 471.6 g/mol
Monoisotopic mass: 471.1940256

Names & identifiers

Preferred name: 4-Piperidinamine, N-(3-(methoxymethyl)-2-pyridinyl)-N-methyl-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
IUPAC: N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]-methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

Names & synonyms

179556-54-84-Piperidinamine, N-(3-(methoxymethyl)-2-pyridinyl)-N-methyl-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-N-(2-(1-(4-((3-Methoxymethyl-pyridin-2-yl)-methyl-amino)-piperidin-1-yl)-methanoyl)-1H-indol-5-yl)-methanesulfonamide4-Piperidinamine, N-[3-(methoxymethyl)-2-pyridinyl]-N-methyl-1-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-N-[2-(1-{4-[(3-Methoxymethyl-pyridin-2-yl)-methyl-amino]-piperidin-1-yl}-methanoyl)-1H-indol-5-yl]-methanesulfonamideRefChem:295583CHEMBL132491DTXSID70939237BDBM50081624N-[2-(4-{[3-(Methoxymethyl)pyridin-2-yl](methyl)amino}piperidine-1-carbonyl)-1H-indol-5-yl]methanesulfonamideN-(2-{4-[(3-Methoxymethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamideN-[2-[4-[[3-(methoxymethyl)-2-pyridyl]-methyl-amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

Database identifiers

CAS: 179556-54-8
PubChem CID: 484351
DTXSID: DTXSID70939237
ChEMBL: CHEMBL132491

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 116 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 767

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