3-(5,6-dimethyl-1H-benzoimidazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

HCID 135804591

Notes Reactions

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Basic information

Standard SMILES: Cc1cc2nc(-c3n[nH]c4c3CNCC4)[nH]c2cc1C
InChIKey: PYLIDESUMYYSHW-UHFFFAOYSA-N
Molecular formula: C15H17N5
Average molar mass: 267.33 g/mol

Names & identifiers

Preferred name: 3-(5,6-dimethyl-1H-benzoimidazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
IUPAC: 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Names & synonyms

SCHEMBL5951979PYLIDESUMYYSHW-UHFFFAOYSA-N3-(5,6-dimethyl-1H-benzoimidazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine3-(5,6-dimethyl-1H-benzoimidazol-2-yl)4,5,6,7-tetrahydro-1H-pirazolo[4,3-c]pyridine3-(5,6-dimethyl-1h-benzoimidazol-2-yl)4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine

Database identifiers

PubChem CID: 135804591

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 362

Related reactions

8 records

New reaction record

HRID 686825As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1562877As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2064614As reactantuspto-grants-2012_10

HRID 2064615As productuspto-grants-2012_10

HRID 2064620As reactantuspto-grants-2012_10

HRID 2064624As reactantuspto-grants-2012_10

HRID 2182368As reactantuspto-grants-2005_05

HRID 2182369As productuspto-grants-2005_05

Compound notes

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