3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone

C190H216N46O15 — CID 167589487

IUPAC3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C1CCOCC1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C1CCOCC1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C2CCOCC2)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
InChIInChI=1S/C33H38N8O3.2C32H36N8O3.C31H36N8O2.2C31H35N7O2/c1-18-26(19(2)41(39-18)22-12-15-43-16-13-22)28-36-27-24(11-14-34-29(27)37-28)21-9-10-23-20(17-21)7-6-8-25(23)35-30(42)31-38-32(40-44-31)33(3,4)5;2*1-18-24(17-34-40(18)21-11-14-42-15-12-21)27-36-26-23(10-13-33-28(26)37-27)20-8-9-22-19(16-20)6-5-7-25(22)35-29(41)30-38-31(39-43-30)32(2,3)4;1-16(2)39-18(4)24(17(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-8-10-23(21)33-28(40)29-36-30(38-41-29)31(5,6)7;2*1-17-25(18(2)38(6)36-17)27-33-26-23(13-14-32-28(26)34-27)21-11-12-22-19(15-21)9-7-8-10-20(22)16-24(39)29-35-30(37-40-29)31(3,4)5/h9-11,14,17,22,25H,6-8,12-13,15-16H2,1-5H3,(H,35,42)(H,34,36,37);2*8-10,13,16-17,21,25H,5-7,11-12,14-15H2,1-4H3,(H,35,41)(H,33,36,37);11-16,23H,8-10H2,1-7H3,(H,33,40)(H,32,34,35);2*11-15,20H,7-10,16H2,1-6H3,(H,32,33,34)/t;2*25-;;2*20-/m.10.10/s1
InChIKeyIFYUZVAQJBVGGW-WHZMLPAFSA-N
MW3384.12 g/mol
LogP36.20
Rot. Bonds30

About 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone

3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone (PubChem CID 167589487) has the molecular formula C190H216N46O15 and a molecular weight of 3384.12 g/mol. Its IUPAC name is 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone.

Molecular Properties

Compound Name3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone
PubChem CID167589487
Molecular FormulaC190H216N46O15
Molecular Weight3384.12 g/mol
Exact Mass3381.76
IUPAC Name3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C1CCOCC1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C1CCOCC1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C2CCOCC2)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
InChIInChI=1S/C33H38N8O3.2C32H36N8O3.C31H36N8O2.2C31H35N7O2/c1-18-26(19(2)41(39-18)22-12-15-43-16-13-22)28-36-27-24(11-14-34-29(27)37-28)21-9-10-23-20(17-21)7-6-8-25(23)35-30(42)31-38-32(40-44-31)33(3,4)5;2*1-18-24(17-34-40(18)21-11-14-42-15-12-21)27-36-26-23(10-13-33-28(26)37-27)20-8-9-22-19(16-20)6-5-7-25(22)35-29(41)30-38-31(39-43-30)32(2,3)4;1-16(2)39-18(4)24(17(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-8-10-23(21)33-28(40)29-36-30(38-41-29)31(5,6)7;2*1-17-25(18(2)38(6)36-17)27-33-26-23(13-14-32-28(26)34-27)21-11-12-22-19(15-21)9-7-8-10-20(22)16-24(39)29-35-30(37-40-29)31(3,4)5/h9-11,14,17,22,25H,6-8,12-13,15-16H2,1-5H3,(H,35,42)(H,34,36,37);2*8-10,13,16-17,21,25H,5-7,11-12,14-15H2,1-4H3,(H,35,41)(H,33,36,37);11-16,23H,8-10H2,1-7H3,(H,33,40)(H,32,34,35);2*11-15,20H,7-10,16H2,1-6H3,(H,32,33,34)/t;2*25-;;2*20-/m.10.10/s1
InChIKeyIFYUZVAQJBVGGW-WHZMLPAFSA-N
XLogP36.20
TPSA768.09 Ų
H-Bond Donors10
H-Bond Acceptors51
Rotatable Bonds30
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003384.12
LogP ≤ 536.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1051

Analyze 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone?
The IUPAC name of 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone (CID 167589487) is 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone.
What is the SMILES notation for 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone?
The canonical SMILES for 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone is Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C1CCOCC1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C1CCOCC1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4CC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C2CCOCC2)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.
What is the InChIKey of 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone?
The InChIKey is IFYUZVAQJBVGGW-WHZMLPAFSA-N. The full InChI is InChI=1S/C33H38N8O3.2C32H36N8O3.C31H36N8O2.2C31H35N7O2/c1-18-26(19(2)41(39-18)22-12-15-43-16-13-22)28-36-27-24(11-14-34-29(27)37-28)21-9-10-23-20(17-21)7-6-8-25(23)35-30(42)31-38-32(40-44-31)33(3,4)5;2*1-18-24(17-34-40(18)21-11-14-42-15-12-21)27-36-26-23(10-13-33-28(26)37-27)20-8-9-22-19(16-20)6-5-7-25(22)35-29(41)30-38-31(39-43-30)32(2,3)4;1-16(2)39-18(4)24(17(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-8-10-23(21)33-28(40)29-36-30(38-41-29)31(5,6)7;2*1-17-25(18(2)38(6)36-17)27-33-26-23(13-14-32-28(26)34-27)21-11-12-22-19(15-21)9-7-8-10-20(22)16-24(39)29-35-30(37-40-29)31(3,4)5/h9-11,14,17,22,25H,6-8,12-13,15-16H2,1-5H3,(H,35,42)(H,34,36,37);2*8-10,13,16-17,21,25H,5-7,11-12,14-15H2,1-4H3,(H,35,41)(H,33,36,37);11-16,23H,8-10H2,1-7H3,(H,33,40)(H,32,34,35);2*11-15,20H,7-10,16H2,1-6H3,(H,32,33,34)/t;2*25-;;2*20-/m.10.10/s1.
What are the key properties of 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone?
3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone has a molecular weight of 3384.12 g/mol, XLogP of 36.20, 30 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[6-[2-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1R)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5S)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(5R)-2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone is sourced from PubChem (CID 167589487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).