(4-{4-[4-(3-Methanesulfonyl-propoxy)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexyl)-methanol

HCID 59743554
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Basic information

Standard SMILES
CS(=O)(=O)CCCOc1cccc2c1ccn2-c1ccnc(NC2CCC(CO)CC2)n1
InChIKey
RNURNPONZOBDNF-UHFFFAOYSA-N
Molecular formula
C23H30N4O4S
Average molar mass
458.6 g/mol
Monoisotopic mass
458.19877662

Names & identifiers

Preferred name
(4-{4-[4-(3-Methanesulfonyl-propoxy)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexyl)-methanol
IUPAC
[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanol

Names & synonyms

SCHEMBL5090281SCHEMBL14175908RNURNPONZOBDNF-UHFFFAOYSA-N(4-{4-[4-(3-methanesulfonyl-propoxy)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexyl)-methanol

Database identifiers

PubChem CID
59743554

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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