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

C126H142N28O8 — CID 167532644

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

3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 167532644) has the molecular formula C126H142N28O8 and a molecular weight of 2176.71 g/mol. Its IUPAC name is 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 167532644
• Molecular Formula: C126H142N28O8
• Molecular Weight: 2176.71 g/mol
• Exact Mass: 2175.16
• IUPAC Name: 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5CC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)nn1C.Cc1nn(C(C)C)c(C)c1C1=Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2C1.Cc1nn(C(C)C)c(C)c1C1=Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C4(C)CC4)no3)c2C1
• InChI: InChI=1S/C33H37N7O2.C33H39N7O2.2C30H33N7O2/c1-18(2)40-20(4)28(19(3)38-40)27-17-25-23(12-15-34-29(25)35-27)22-10-11-24-21(16-22)8-6-7-9-26(24)36-30(41)31-37-32(39-42-31)33(5)13-14-33;1-18(2)40-20(4)28(19(3)38-40)27-17-25-23(14-15-34-29(25)35-27)22-12-13-24-21(16-22)10-8-9-11-26(24)36-30(41)31-37-32(39-42-31)33(5,6)7;1-17(2)37-16-21(15-32-37)26-33-25-23(11-12-31-27(25)34-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(38)28-35-29(36-39-28)30(3,4)5;1-17-14-23(36-37(17)5)26-32-25-22(12-13-31-27(25)33-26)20-10-11-21-18(15-20)8-6-7-9-19(21)16-24(38)28-34-35-29(39-28)30(2,3)4/h10-12,15-16,18,26H,6-9,13-14,17H2,1-5H3,(H,36,41);12-16,18,26H,8-11,17H2,1-7H3,(H,36,41);9-13,15-17,19H,6-8,14H2,1-5H3,(H,31,33,34);10-15,19H,6-9,16H2,1-5H3,(H,31,32,33)/t2*26-;;/m11../s1
• InChIKey: AEJQOVPAXJMTBT-OFYPNISCSA-N
• XLogP: 25.69
• TPSA: 452.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2176.71
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide (CID 167532644) is 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide is CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5CC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)nn1C.Cc1nn(C(C)C)c(C)c1C1=Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2C1.Cc1nn(C(C)C)c(C)c1C1=Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C4(C)CC4)no3)c2C1.

What is the InChIKey of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is AEJQOVPAXJMTBT-OFYPNISCSA-N. The full InChI is InChI=1S/C33H37N7O2.C33H39N7O2.2C30H33N7O2/c1-18(2)40-20(4)28(19(3)38-40)27-17-25-23(12-15-34-29(25)35-27)22-10-11-24-21(16-22)8-6-7-9-26(24)36-30(41)31-37-32(39-42-31)33(5)13-14-33;1-18(2)40-20(4)28(19(3)38-40)27-17-25-23(14-15-34-29(25)35-27)22-12-13-24-21(16-22)10-8-9-11-26(24)36-30(41)31-37-32(39-42-31)33(5,6)7;1-17(2)37-16-21(15-32-37)26-33-25-23(11-12-31-27(25)34-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(38)28-35-29(36-39-28)30(3,4)5;1-17-14-23(36-37(17)5)26-32-25-22(12-13-31-27(25)33-26)20-10-11-21-18(15-20)8-6-7-9-19(21)16-24(38)28-34-35-29(39-28)30(2,3)4/h10-12,15-16,18,26H,6-9,13-14,17H2,1-5H3,(H,36,41);12-16,18,26H,8-11,17H2,1-7H3,(H,36,41);9-13,15-17,19H,6-8,14H2,1-5H3,(H,31,33,34);10-15,19H,6-9,16H2,1-5H3,(H,31,32,33)/t2*26-;;/m11../s1.

What are the key properties of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?

3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 2176.71 g/mol, XLogP of 25.69, 22 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-[2-(1,5-dimethylpyrazol-3-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-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 167532644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).