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

C179H202N48O16 — CID 167595145

IUPAC5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1
InChIInChI=1S/2C31H36N8O2.C30H34N8O3.3C29H32N8O3/c2*1-17(2)39-18(3)23(16-33-39)26-35-25-22(13-14-32-27(25)36-26)20-11-12-21-19(15-20)9-7-8-10-24(21)34-29(40)28-37-30(41-38-28)31(4,5)6;1-16(2)38-17(3)21(15-32-38)25-34-24-19(11-12-31-26(24)35-25)18-9-10-20-22(8-7-13-40-23(20)14-18)33-28(39)27-36-29(41-37-27)30(4,5)6;3*1-15-22(16(2)37(6)36-15)24-32-23-18(11-12-30-25(23)33-24)17-9-10-19-20(8-7-13-39-21(19)14-17)31-26(38)27-34-35-28(40-27)29(3,4)5/h2*11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);9-12,14-16,22H,7-8,13H2,1-6H3,(H,33,39)(H,31,34,35);3*9-12,14,20H,7-8,13H2,1-6H3,(H,31,38)(H,30,32,33)/t24-;;22-;2*20-;/m0.110./s1
InChIKeyIYTFROHNNNZQMU-GPMJZEQRSA-N
MW3281.90 g/mol
LogP33.11
Rot. Bonds27

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

5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 167595145) has the molecular formula C179H202N48O16 and a molecular weight of 3281.90 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID167595145
Molecular FormulaC179H202N48O16
Molecular Weight3281.90 g/mol
Exact Mass3279.65
IUPAC Name5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1
InChIInChI=1S/2C31H36N8O2.C30H34N8O3.3C29H32N8O3/c2*1-17(2)39-18(3)23(16-33-39)26-35-25-22(13-14-32-27(25)36-26)20-11-12-21-19(15-20)9-7-8-10-24(21)34-29(40)28-37-30(41-38-28)31(4,5)6;1-16(2)38-17(3)21(15-32-38)25-34-24-19(11-12-31-26(24)35-25)18-9-10-20-22(8-7-13-40-23(20)14-18)33-28(39)27-36-29(41-37-27)30(4,5)6;3*1-15-22(16(2)37(6)36-15)24-32-23-18(11-12-30-25(23)33-24)17-9-10-19-20(8-7-13-39-21(19)14-17)31-26(38)27-34-35-28(40-27)29(3,4)5/h2*11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);9-12,14-16,22H,7-8,13H2,1-6H3,(H,33,39)(H,31,34,35);3*9-12,14,20H,7-8,13H2,1-6H3,(H,31,38)(H,30,32,33)/t24-;;22-;2*20-;/m0.110./s1
InChIKeyIYTFROHNNNZQMU-GPMJZEQRSA-N
XLogP33.11
TPSA801.38 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds27
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003281.90
LogP ≤ 533.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide (CID 167595145) is 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide is Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCCC4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)OCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1.
What is the InChIKey of 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IYTFROHNNNZQMU-GPMJZEQRSA-N. The full InChI is InChI=1S/2C31H36N8O2.C30H34N8O3.3C29H32N8O3/c2*1-17(2)39-18(3)23(16-33-39)26-35-25-22(13-14-32-27(25)36-26)20-11-12-21-19(15-20)9-7-8-10-24(21)34-29(40)28-37-30(41-38-28)31(4,5)6;1-16(2)38-17(3)21(15-32-38)25-34-24-19(11-12-31-26(24)35-25)18-9-10-20-22(8-7-13-40-23(20)14-18)33-28(39)27-36-29(41-37-27)30(4,5)6;3*1-15-22(16(2)37(6)36-15)24-32-23-18(11-12-30-25(23)33-24)17-9-10-19-20(8-7-13-39-21(19)14-17)31-26(38)27-34-35-28(40-27)29(3,4)5/h2*11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);9-12,14-16,22H,7-8,13H2,1-6H3,(H,33,39)(H,31,34,35);3*9-12,14,20H,7-8,13H2,1-6H3,(H,31,38)(H,30,32,33)/t24-;;22-;2*20-;/m0.110./s1.
What are the key properties of 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 3281.90 g/mol, XLogP of 33.11, 27 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 167595145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).