N-[2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]-N-methylamine

HCID 136127299

Notes Reactions

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Basic information

Standard SMILES: CNc1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIKey: CKGURMJZTVPJFU-UHFFFAOYSA-N
Molecular formula: C18H22N4
Average molar mass: 294.4 g/mol

Names & identifiers

Preferred name: N-[2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]-N-methylamine
IUPAC: 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methyl-1H-indol-6-amine

Names & synonyms

N-[2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]-N-methylamineN-{2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl}-N-methylamineSCHEMBL9981161SCHEMBL30721386CKGURMJZTVPJFU-UHFFFAOYSA-N

Database identifiers

PubChem CID: 136127299

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 410

Related reactions

5 records

New reaction record

HRID 810872As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 957510As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2068887As productuspto-grants-2012_10

HRID 2068888As reactantuspto-grants-2012_10

HRID 2068890As reactantuspto-grants-2012_10

Compound notes

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