N-cyclopropylmethyl-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyridin-3-yl]amine

HCID 21984576

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(C)cc(C)c1-c1cccc2c(NCC3CC3)c(SC)nn12
InChIKey: OXSOWEXPSPUHSG-UHFFFAOYSA-N
Molecular formula: C21H25N3OS
Average molar mass: 367.5 g/mol

Names & identifiers

Preferred name: N-cyclopropylmethyl-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyridin-3-yl]amine
IUPAC: N-(cyclopropylmethyl)-7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-amine

Names & synonyms

SCHEMBL1942414OXSOWEXPSPUHSG-UHFFFAOYSA-NN-cyclopropylmethyl-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyridin-3-yl]amine

Database identifiers

PubChem CID: 21984576

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 63.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 474

Related reactions

12 records

New reaction record

HRID 9212As reactantuspto-grants-2006_08

HRID 9216As reactantuspto-grants-2006_08

HRID 9222As reactantuspto-grants-2006_08

HRID 152995As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170835As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1181889As reactantuspto-grants-2007_10

HRID 1181893As reactantuspto-grants-2007_10

HRID 1181899As reactantuspto-grants-2007_10

Compound notes

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