Jpt8cav4SM
Basic information
- CAS
467422-83-9- Standard SMILES
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](c3cccc(F)c3)C3CCN(S(=O)(=O)C4CC4)CC3)[C@@H](C)C2)CC1- InChIKey
IOYGCIOOMSKGEY-GTYOFVGBSA-N- Molecular formula
- C33H47FN6O3S
- Average molar mass
- 626.8 g/mol
- Monoisotopic mass
- 626.34143872
Names & identifiers
- Preferred name
- Jpt8cav4SM
- IUPAC
- [4-[(3S)-4-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
Names & synonyms
JPT8CAV4SMSCH532706SCH-532706467422-83-9(4-((3S)-4-((R)-(1-Cyclopropylsulfonyl-4-piperidyl)-(3-fluorophenyl)methyl)-3-methyl-piperazin-1-yl)-4-methyl-1-piperidyl)-(4,6-dimethylpyrimidin-5-yl)methanoneMethanone, (4-((3S)-4-((R)-(1-(cyclopropylsulfonyl)-4-piperidinyl)(3-fluorophenyl)methyl)-3-methyl-1-piperazinyl)-4-methyl-1-piperidinyl)(4,6-dimethyl-5-pyrimidinyl)-Piperidine, 4-((3S)-4-((R)-(1-(cyclopropylsulfonyl)-4-piperidinyl)(3-fluorophenyl)methyl)-3-methyl-1-piperazinyl)-1-((4,6-dimethyl-5-pyrimidinyl)carbonyl)-4-methyl-UNII-JPT8CAV4SMSCHEMBL2789152
Database identifiers
- CAS
467422-83-9- PubChem CID
- 10189395
- UNII
- JPT8CAV4SM
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
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Compound notes
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