Structural Complex
Chemical ID: A1DNU
IUPAC Name: [(8R)-pyrazolo[1,5-a]pyridin-3-yl]methanol
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccn2nccc2c1
InChI: InChI=1S/C7H6N2/c1-2-6-9-7(3-1)4-5-8-9/h1-6H
InChI Key: DVUBDHRTVYLIPA-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C8 H8 N2 O
Molecular weight: 148.162
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 1
Rotatable Bonds: 2
Heavy Atoms: 11
Systematic name
Program Version Descriptor
ACDLabs 14.52 [(8R)-pyrazolo[1,5-a]pyridin-3-yl]methanol
OpenEye OEToolkits 3.1.0.0 pyrazolo[1,5-a]pyridin-3-ylmethanol
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 OCc1cnn2ccccc12
InChI InChI 1.06 InChI=1S/C8H8N2O/c11-6-7-5-9-10-4-2-1-3-8(7)10/h1-5,11H,6H2
InChIKey InChI 1.06 FYFIBJJWPQYJNJ-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 OCc1cnn2ccccc12
SMILES CACTVS 3.385 OCc1cnn2ccccc12
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 c1ccn2c(c1)c(cn2)CO
SMILES OpenEye OEToolkits 3.1.0.0 c1ccn2c(c1)c(cn2)CO
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