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

C184H208N48O12 — CID 167554724

IUPAC3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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
SMILESCCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)nn1C.CCn1nc(C)c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)c1C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C(C)C.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C4(C)CC4)no3)c2[nH]1
InChIInChI=1S/2C31H34N8O2.2C31H36N8O2.2C30H34N8O2/c1-17(2)39-16-23(18(3)37-39)26-34-25-22(11-14-32-27(25)35-26)20-9-10-21-19(15-20)7-5-6-8-24(21)33-28(40)29-36-30(38-41-29)31(4)12-13-31;1-5-39-18(3)24(17(2)37-39)26-34-25-22(12-15-32-27(25)35-26)20-10-11-21-19(16-20)8-6-7-9-23(21)33-28(40)29-36-30(38-41-29)31(4)13-14-31;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;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)34-28(40)29-37-30(38-41-29)31(4,5)6;1-6-19-16-23(37-38(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)28-35-36-29(40-28)30(2,3)4;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/h9-11,14-17,24H,5-8,12-13H2,1-4H3,(H,33,40)(H,32,34,35);10-12,15-16,23H,5-9,13-14H2,1-4H3,(H,33,40)(H,32,34,35);11-17,24H,7-10H2,1-6H3,(H,33,40)(H,32,34,35);11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);2*11-16,22H,6-10H2,1-5H3,(H,32,39)(H,31,33,34)
InChIKeyCWALHAVADRRCQM-UHFFFAOYSA-N
MW3284.01 g/mol
LogP35.21
Rot. Bonds32

About 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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 (PubChem CID 167554724) has the molecular formula C184H208N48O12 and a molecular weight of 3284.01 g/mol. Its IUPAC name is 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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.

Molecular Properties

Compound Name3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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
PubChem CID167554724
Molecular FormulaC184H208N48O12
Molecular Weight3284.01 g/mol
Exact Mass3281.71
IUPAC Name3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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
SMILESCCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)nn1C.CCn1nc(C)c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)c1C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C(C)C.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C4(C)CC4)no3)c2[nH]1
InChIInChI=1S/2C31H34N8O2.2C31H36N8O2.2C30H34N8O2/c1-17(2)39-16-23(18(3)37-39)26-34-25-22(11-14-32-27(25)35-26)20-9-10-21-19(15-20)7-5-6-8-24(21)33-28(40)29-36-30(38-41-29)31(4)12-13-31;1-5-39-18(3)24(17(2)37-39)26-34-25-22(12-15-32-27(25)35-26)20-10-11-21-19(16-20)8-6-7-9-23(21)33-28(40)29-36-30(38-41-29)31(4)13-14-31;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;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)34-28(40)29-37-30(38-41-29)31(4,5)6;1-6-19-16-23(37-38(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)28-35-36-29(40-28)30(2,3)4;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/h9-11,14-17,24H,5-8,12-13H2,1-4H3,(H,33,40)(H,32,34,35);10-12,15-16,23H,5-9,13-14H2,1-4H3,(H,33,40)(H,32,34,35);11-17,24H,7-10H2,1-6H3,(H,33,40)(H,32,34,35);11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);2*11-16,22H,6-10H2,1-5H3,(H,32,39)(H,31,33,34)
InChIKeyCWALHAVADRRCQM-UHFFFAOYSA-N
XLogP35.21
TPSA764.46 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds32
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003284.01
LogP ≤ 535.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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?
The IUPAC name of 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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 (CID 167554724) is 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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.
What is the SMILES notation for 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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?
The canonical SMILES for 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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 is CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)nn1C.CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)nn1C.CCn1nc(C)c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)c1C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cnn1C(C)C.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C4(C)CC4)no3)c2[nH]1.
What is the InChIKey of 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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?
The InChIKey is CWALHAVADRRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34N8O2.2C31H36N8O2.2C30H34N8O2/c1-17(2)39-16-23(18(3)37-39)26-34-25-22(11-14-32-27(25)35-26)20-9-10-21-19(15-20)7-5-6-8-24(21)33-28(40)29-36-30(38-41-29)31(4)12-13-31;1-5-39-18(3)24(17(2)37-39)26-34-25-22(12-15-32-27(25)35-26)20-10-11-21-19(16-20)8-6-7-9-23(21)33-28(40)29-36-30(38-41-29)31(4)13-14-31;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;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)34-28(40)29-37-30(38-41-29)31(4,5)6;1-6-19-16-23(37-38(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)28-35-36-29(40-28)30(2,3)4;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/h9-11,14-17,24H,5-8,12-13H2,1-4H3,(H,33,40)(H,32,34,35);10-12,15-16,23H,5-9,13-14H2,1-4H3,(H,33,40)(H,32,34,35);11-17,24H,7-10H2,1-6H3,(H,33,40)(H,32,34,35);11-17,24H,7-10H2,1-6H3,(H,34,40)(H,32,35,36);2*11-16,22H,6-10H2,1-5H3,(H,32,39)(H,31,33,34).
What are the key properties of 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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 has a molecular weight of 3284.01 g/mol, XLogP of 35.21, 32 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[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;5-tert-butyl-N-[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]-1,3,4-oxadiazole-2-carboxamide;3-tert-butyl-N-[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-[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-5-carboxamide;N-[2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide;3-(1-methylcyclopropyl)-N-[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 is sourced from PubChem (CID 167554724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).