phthalic acid; 1-(3-propan-2-ylphenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea

Systemtic Name: phthalic acid; 1-(3-propan-2-ylphenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea Openeye Name: 1-(3-isopropylphenyl)-3-[3-(1-isopropyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea; phthalic acid CAS Name: phthalic acid; 1-(3-propan-2-ylphenyl)-3-[3-(1-propan-2-yl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea IUPAC Name: phthalic acid; 1-(3-propan-2-ylphenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea Traditional Name: 1-[3-(1-isopropyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-m-cumenyl-urea; phthalic acid Formula: C33H39N5O5 MolecularWeight: 585.69326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)NC2=NC3=C(C=C2)NC=C3C4CCN(CC4)C(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)NC2=NC3=C(C=C2)NC=C3C4CCN(CC4)C(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C25H33N5O.C8H6O4/c1-16(2)19-6-5-7-20(14-19)27-25(31)29-23-9-8-22-24(28-23)21(15-26-22)18-10-12-30(13-11-18)17(3)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h5-9,14-18,26H,10-13H2,1-4H3,(H2,27,28,29,31);1-4H,(H,9,10)(H,11,12)