7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one

C162H167N41O8 — CID 161213610

IUPAC7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one
SMILESCC(C)n1ccnc1-c1cccc(-n2ncc3ccc(-c4ccc(C5CC5)nc4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(-n2ncc3ccc(N4CCCC(O)C4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(N2CCc3cc(C4CCN(C)CC4)c(-n4cnc(C5CC5)c4)cc3C2=O)n1.CC(CO)n1ccnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.CC1NCCc2c1ncn2-c1ccc2cnn(-c3cccc(-c4nccn4C(C)C)n3)c(=O)c2c1.CC1c2ncn(-c3ccc4cnn(-c5cccc(-c6nccn6C(C)C)n5)c(=O)c4c3)c2CCN1C
InChIInChI=1S/C32H37N7O.C27H28N8O.C27H24N6O.C26H26N8O.C26H26N6O2.C24H26N6O2/c1-21(2)38-16-12-33-31(38)27-5-4-6-30(35-27)39-15-11-24-17-25(22-9-13-36(3)14-10-22)29(18-26(24)32(39)40)37-19-28(34-20-37)23-7-8-23;1-17(2)33-13-11-28-26(33)22-6-5-7-24(31-22)35-27(36)21-14-20(9-8-19(21)15-30-35)34-16-29-25-18(3)32(4)12-10-23(25)34;1-17(2)32-13-12-28-26(32)24-4-3-5-25(31-24)33-27(34)22-14-19(8-9-21(22)16-30-33)20-10-11-23(29-15-20)18-6-7-18;1-16(2)32-12-11-28-25(32)21-5-4-6-23(31-21)34-26(35)20-13-19(8-7-18(20)14-30-34)33-15-29-24-17(3)27-10-9-22(24)33;1-17(15-33)31-12-10-27-25(31)22-3-2-4-24(29-22)32-11-9-18-7-8-20(13-21(18)26(32)34)30-14-23(28-16-30)19-5-6-19;1-16(2)29-12-10-25-23(29)21-6-3-7-22(27-21)30-24(32)20-13-18(9-8-17(20)14-26-30)28-11-4-5-19(31)15-28/h4-6,12,16-23H,7-11,13-15H2,1-3H3;5-9,11,13-18H,10,12H2,1-4H3;3-5,8-18H,6-7H2,1-2H3;4-8,11-17,27H,9-10H2,1-3H3;2-4,7-8,10,12-14,16-17,19,33H,5-6,9,11,15H2,1H3;3,6-10,12-14,16,19,31H,4-5,11,15H2,1-2H3
InChIKeyUWOKGWRMTOIYSN-UHFFFAOYSA-N
MW2816.40 g/mol
LogP25.29
Rot. Bonds29

About 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one

7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one (PubChem CID 161213610) has the molecular formula C162H167N41O8 and a molecular weight of 2816.40 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one
PubChem CID161213610
Molecular FormulaC162H167N41O8
Molecular Weight2816.40 g/mol
Exact Mass2814.39
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one
SMILESCC(C)n1ccnc1-c1cccc(-n2ncc3ccc(-c4ccc(C5CC5)nc4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(-n2ncc3ccc(N4CCCC(O)C4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(N2CCc3cc(C4CCN(C)CC4)c(-n4cnc(C5CC5)c4)cc3C2=O)n1.CC(CO)n1ccnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.CC1NCCc2c1ncn2-c1ccc2cnn(-c3cccc(-c4nccn4C(C)C)n3)c(=O)c2c1.CC1c2ncn(-c3ccc4cnn(-c5cccc(-c6nccn6C(C)C)n5)c(=O)c4c3)c2CCN1C
InChIInChI=1S/C32H37N7O.C27H28N8O.C27H24N6O.C26H26N8O.C26H26N6O2.C24H26N6O2/c1-21(2)38-16-12-33-31(38)27-5-4-6-30(35-27)39-15-11-24-17-25(22-9-13-36(3)14-10-22)29(18-26(24)32(39)40)37-19-28(34-20-37)23-7-8-23;1-17(2)33-13-11-28-26(33)22-6-5-7-24(31-22)35-27(36)21-14-20(9-8-19(21)15-30-35)34-16-29-25-18(3)32(4)12-10-23(25)34;1-17(2)32-13-12-28-26(32)24-4-3-5-25(31-24)33-27(34)22-14-19(8-9-21(22)16-30-33)20-10-11-23(29-15-20)18-6-7-18;1-16(2)32-12-11-28-25(32)21-5-4-6-23(31-21)34-26(35)20-13-19(8-7-18(20)14-30-34)33-15-29-24-17(3)27-10-9-22(24)33;1-17(15-33)31-12-10-27-25(31)22-3-2-4-24(29-22)32-11-9-18-7-8-20(13-21(18)26(32)34)30-14-23(28-16-30)19-5-6-19;1-16(2)29-12-10-25-23(29)21-6-3-7-22(27-21)30-24(32)20-13-18(9-8-17(20)14-26-30)28-11-4-5-19(31)15-28/h4-6,12,16-23H,7-11,13-15H2,1-3H3;5-9,11,13-18H,10,12H2,1-4H3;3-5,8-18H,6-7H2,1-2H3;4-8,11-17,27H,9-10H2,1-3H3;2-4,7-8,10,12-14,16-17,19,33H,5-6,9,11,15H2,1H3;3,6-10,12-14,16,19,31H,4-5,11,15H2,1-2H3
InChIKeyUWOKGWRMTOIYSN-UHFFFAOYSA-N
XLogP25.29
TPSA510.82 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds29
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002816.40
LogP ≤ 525.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

Analyze 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one with MolForge

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Related Compounds

7-(4-cyclopropylimidazol-1-yl)-2-[6-[4-[2-[1-[3-hydroxy-6-methyl-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(trifluoromethyl)-3,4-dihydroisoquinolin-7-yl]imidazol-4-yl]cyclopropyl]-1-propan-2-ylimidazol-2-yl]-2-pyridinyl]-N,6-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 146431078
tert-butyl 4-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyrazin-3-yl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyrazin-3-yl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-imidazo[1,2-a]pyrazin-3-yl-3-oxo-4-[[5-[(3R)-3,4,4-trifluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-1H-isoindole-2-carboxylate;7-[[5-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one;7-[[5-[(3S,4S)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
CID 157510080
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158092886
N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158117159
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 159075367
2-[6-(1-Butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one
CID 159632986
CID 160155670
CID 160155670
6-(4-Cyclopropylimidazol-1-yl)-3-[6-(1-cyclopropyl-5-methylimidazol-2-yl)-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1,5-dimethylimidazol-2-yl)-2-pyridinyl]-7-methylquinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one
CID 161522037
N-cyclopropyl-3-[7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carboxamide;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one
CID 161836057
CID 164955441
CID 164955441
4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 165054799
CID 165080670
CID 165080670

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one (CID 161213610) is 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one is CC(C)n1ccnc1-c1cccc(-n2ncc3ccc(-c4ccc(C5CC5)nc4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(-n2ncc3ccc(N4CCCC(O)C4)cc3c2=O)n1.CC(C)n1ccnc1-c1cccc(N2CCc3cc(C4CCN(C)CC4)c(-n4cnc(C5CC5)c4)cc3C2=O)n1.CC(CO)n1ccnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.CC1NCCc2c1ncn2-c1ccc2cnn(-c3cccc(-c4nccn4C(C)C)n3)c(=O)c2c1.CC1c2ncn(-c3ccc4cnn(-c5cccc(-c6nccn6C(C)C)n5)c(=O)c4c3)c2CCN1C.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?
The InChIKey is UWOKGWRMTOIYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O.C27H28N8O.C27H24N6O.C26H26N8O.C26H26N6O2.C24H26N6O2/c1-21(2)38-16-12-33-31(38)27-5-4-6-30(35-27)39-15-11-24-17-25(22-9-13-36(3)14-10-22)29(18-26(24)32(39)40)37-19-28(34-20-37)23-7-8-23;1-17(2)33-13-11-28-26(33)22-6-5-7-24(31-22)35-27(36)21-14-20(9-8-19(21)15-30-35)34-16-29-25-18(3)32(4)12-10-23(25)34;1-17(2)32-13-12-28-26(32)24-4-3-5-25(31-24)33-27(34)22-14-19(8-9-21(22)16-30-33)20-10-11-23(29-15-20)18-6-7-18;1-16(2)32-12-11-28-25(32)21-5-4-6-23(31-21)34-26(35)20-13-19(8-7-18(20)14-30-34)33-15-29-24-17(3)27-10-9-22(24)33;1-17(15-33)31-12-10-27-25(31)22-3-2-4-24(29-22)32-11-9-18-7-8-20(13-21(18)26(32)34)30-14-23(28-16-30)19-5-6-19;1-16(2)29-12-10-25-23(29)21-6-3-7-22(27-21)30-24(32)20-13-18(9-8-17(20)14-26-30)28-11-4-5-19(31)15-28/h4-6,12,16-23H,7-11,13-15H2,1-3H3;5-9,11,13-18H,10,12H2,1-4H3;3-5,8-18H,6-7H2,1-2H3;4-8,11-17,27H,9-10H2,1-3H3;2-4,7-8,10,12-14,16-17,19,33H,5-6,9,11,15H2,1H3;3,6-10,12-14,16,19,31H,4-5,11,15H2,1-2H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?
7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one has a molecular weight of 2816.40 g/mol, XLogP of 25.29, 29 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(1-methylpiperidin-4-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(6-cyclopropyl-3-pyridinyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(3-hydroxypiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one is sourced from PubChem (CID 161213610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).