(3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpiperidine-3-carboxamide

Systemtic Name: (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpiperidine-3-carboxamide Openeye Name: (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazole-4-carbonyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]nipecotamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCCC(C4)C(=O)N)C5CC5

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCC[C@@H](C4)C(=O)N)C5CC5

InChI

InChI=1S/C23H26N6O2S/c1-13-10-17(14(2)32-13)19-7-8-25-23(27-19)29-20(15-5-6-15)18(11-26-29)22(31)28-9-3-4-16(12-28)21(24)30/h7-8,10-11,15-16H,3-6,9,12H2,1-2H3,(H2,24,30)/t16-/m0/s1