trans-4-[4-(3-Methoxyindazol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol

HCID 24958799
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Basic information

Standard SMILES
COc1nn(-c2ccnc(NC3CCC(O)CC3)n2)c2ccccc12
InChIKey
XRALJGCDRHJEAJ-UHFFFAOYSA-N
Molecular formula
C18H21N5O2
Average molar mass
339.4 g/mol

Names & identifiers

Preferred name
trans-4-[4-(3-Methoxyindazol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol
IUPAC
4-[[4-(3-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

Names & synonyms

SCHEMBL3805475SCHEMBL5095939XRALJGCDRHJEAJ-JOCQHMNTSA-Ntrans-4-[4-(3-methoxy-indazol-1-yl)-pyrimidin-2-ylamino]-cyclohexanoltrans-4-[4-(3-methoxyindazol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol

Database identifiers

PubChem CID
24958799

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
85.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
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Compound notes

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