N-[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carboxamide hydrate

Systemtic Name: N-[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carboxamide hydrate Openeye Name: N-[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carboxamide hydrate CAS Name: N-[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-piperidinecarboxamide hydrate IUPAC Name: N-[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carboxamide hydrate Traditional Name: N-[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]isonipecotamide hydrate Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN=C2C(=C1NC(=O)C3CCNCC3)C=NN2.O

Isomeric SMILES

COCC1=CN=C2C(=C1NC(=O)C3CCNCC3)C=NN2.O

InChI

InChI=1S/C14H19N5O2.H2O/c1-21-8-10-6-16-13-11(7-17-19-13)12(10)18-14(20)9-2-4-15-5-3-9;/h6-7,9,15H,2-5,8H2,1H3,(H2,16,17,18,19,20);1H2