3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide

C115H126N32O8 — CID 167664322

About 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 167664322) has the molecular formula C115H126N32O8 and a molecular weight of 2084.49 g/mol. Its IUPAC name is 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 167664322
• Molecular Formula: C115H126N32O8
• Molecular Weight: 2084.49 g/mol
• Exact Mass: 2083.04
• IUPAC Name: 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C.Cc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C(C)C.Cc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.Cn1ccc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)n1
• InChI: InChI=1S/C30H34N8O2.C29H32N8O2.2C28H30N8O2/c1-16(2)38-17(3)14-23(36-38)25-33-24-21(12-13-31-26(24)34-25)19-10-11-20-18(15-19)8-7-9-22(20)32-27(39)28-35-29(37-40-28)30(4,5)6;1-16-14-22(35-37(16)5)24-32-23-20(12-13-30-25(23)33-24)18-10-11-19-17(15-18)8-6-7-9-21(19)31-26(38)27-34-28(36-39-27)29(2,3)4;1-15-20(14-30-36(15)5)23-32-22-19(11-12-29-24(22)33-23)17-9-10-18-16(13-17)7-6-8-21(18)31-25(37)26-34-27(35-38-26)28(2,3)4;1-28(2,3)27-33-26(38-35-27)25(37)30-20-8-6-5-7-16-15-17(9-10-18(16)20)19-11-13-29-24-22(19)31-23(32-24)21-12-14-36(4)34-21/h10-16,22H,7-9H2,1-6H3,(H,32,39)(H,31,33,34);10-15,21H,6-9H2,1-5H3,(H,31,38)(H,30,32,33);9-14,21H,6-8H2,1-5H3,(H,31,37)(H,29,32,33);9-15,20H,5-8H2,1-4H3,(H,30,37)(H,29,31,32)
• InChIKey: SKFZQEKBEKMZSG-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 509.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2084.49
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (CID 167664322) is 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.

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

The canonical SMILES for 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C.Cc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C(C)C.Cc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.Cn1ccc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)n1.

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

The InChIKey is SKFZQEKBEKMZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2.C29H32N8O2.2C28H30N8O2/c1-16(2)38-17(3)14-23(36-38)25-33-24-21(12-13-31-26(24)34-25)19-10-11-20-18(15-19)8-7-9-22(20)32-27(39)28-35-29(37-40-28)30(4,5)6;1-16-14-22(35-37(16)5)24-32-23-20(12-13-30-25(23)33-24)18-10-11-19-17(15-18)8-6-7-9-21(19)31-26(38)27-34-28(36-39-27)29(2,3)4;1-15-20(14-30-36(15)5)23-32-22-19(11-12-29-24(22)33-23)17-9-10-18-16(13-17)7-6-8-21(18)31-25(37)26-34-27(35-38-26)28(2,3)4;1-28(2,3)27-33-26(38-35-27)25(37)30-20-8-6-5-7-16-15-17(9-10-18(16)20)19-11-13-29-24-22(19)31-23(32-24)21-12-14-36(4)34-21/h10-16,22H,7-9H2,1-6H3,(H,32,39)(H,31,33,34);10-15,21H,6-9H2,1-5H3,(H,31,38)(H,30,32,33);9-14,21H,6-8H2,1-5H3,(H,31,37)(H,29,32,33);9-15,20H,5-8H2,1-4H3,(H,30,37)(H,29,31,32).

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

3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 2084.49 g/mol, XLogP of 20.80, 17 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[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]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[6-[2-(1,5-dimethylpyrazol-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-(5-methyl-1-propan-2-ylpyrazol-3-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-[2-[2-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 167664322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).