3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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

C184H212N48O12 — CID 167633064

IUPAC3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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
SMILESCCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1
InChIInChI=1S/4C31H36N8O2.2C30H34N8O2/c2*1-17(2)39-16-23(18(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-7-8-10-24(21)33-29(40)28-36-30(41-38-28)31(4,5)6;2*1-17(2)39-16-23(18(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-7-8-10-24(21)33-28(40)29-36-30(38-41-29)31(4,5)6;2*1-6-19-16-23(36-38(19)5)25-33-24-21(13-14-31-26(24)34-25)18-11-12-20-17(15-18)9-7-8-10-22(20)32-27(39)28-35-29(37-40-28)30(2,3)4/h4*11-17,24H,7-10H2,1-6H3,(H,33,40)(H,32,34,35);2*11-16,22H,6-10H2,1-5H3,(H,32,39)(H,31,33,34)/t4*24-;2*22-/m101010/s1
InChIKeyOBVFZWQASZZHBC-HYHFJENMSA-N
MW3288.04 g/mol
LogP35.95
Rot. Bonds30

About 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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

3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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 (PubChem CID 167633064) has the molecular formula C184H212N48O12 and a molecular weight of 3288.04 g/mol. Its IUPAC name is 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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.

Molecular Properties

Compound Name3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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
PubChem CID167633064
Molecular FormulaC184H212N48O12
Molecular Weight3288.04 g/mol
Exact Mass3285.75
IUPAC Name3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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
SMILESCCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1
InChIInChI=1S/4C31H36N8O2.2C30H34N8O2/c2*1-17(2)39-16-23(18(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-7-8-10-24(21)33-29(40)28-36-30(41-38-28)31(4,5)6;2*1-17(2)39-16-23(18(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-7-8-10-24(21)33-28(40)29-36-30(38-41-29)31(4,5)6;2*1-6-19-16-23(36-38(19)5)25-33-24-21(13-14-31-26(24)34-25)18-11-12-20-17(15-18)9-7-8-10-22(20)32-27(39)28-35-29(37-40-28)30(2,3)4/h4*11-17,24H,7-10H2,1-6H3,(H,33,40)(H,32,34,35);2*11-16,22H,6-10H2,1-5H3,(H,32,39)(H,31,33,34)/t4*24-;2*22-/m101010/s1
InChIKeyOBVFZWQASZZHBC-HYHFJENMSA-N
XLogP35.95
TPSA764.46 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds30
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.04
LogP ≤ 535.95
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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?
The IUPAC name of 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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 (CID 167633064) is 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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.
What is the SMILES notation for 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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?
The canonical SMILES for 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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 is CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)c2[nH]1.
What is the InChIKey of 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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?
The InChIKey is OBVFZWQASZZHBC-HYHFJENMSA-N. The full InChI is InChI=1S/4C31H36N8O2.2C30H34N8O2/c2*1-17(2)39-16-23(18(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-7-8-10-24(21)33-29(40)28-36-30(41-38-28)31(4,5)6;2*1-17(2)39-16-23(18(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-7-8-10-24(21)33-28(40)29-36-30(38-41-29)31(4,5)6;2*1-6-19-16-23(36-38(19)5)25-33-24-21(13-14-31-26(24)34-25)18-11-12-20-17(15-18)9-7-8-10-22(20)32-27(39)28-35-29(37-40-28)30(2,3)4/h4*11-17,24H,7-10H2,1-6H3,(H,33,40)(H,32,34,35);2*11-16,22H,6-10H2,1-5H3,(H,32,39)(H,31,33,34)/t4*24-;2*22-/m101010/s1.
What are the key properties of 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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?
3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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 has a molecular weight of 3288.04 g/mol, XLogP of 35.95, 30 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(5R)-2-[2-(5-ethyl-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-[(5S)-2-[2-(5-ethyl-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-[(5R)-2-[2-(3-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-5-carboxamide;3-tert-butyl-N-[(5S)-2-[2-(3-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-5-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(3-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-(3-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 is sourced from PubChem (CID 167633064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).