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

C165H177N47O16 — CID 167661282

IUPAC5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1
InChIInChI=1S/C29H35N7O2.C28H30N8O2.4C27H28N8O3/c1-29(2,3)38-21-16-36(17-21)28(37)32-24-8-6-5-7-18-13-19(9-10-22(18)24)23-11-12-30-27-25(23)33-26(34-27)20-14-31-35(4)15-20;1-28(2,3)27-35-34-26(38-27)25(37)31-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-29-24-22(20)32-23(33-24)18-14-30-36(4)15-18;2*1-27(2,3)26-33-24(34-38-26)25(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16;2*1-27(2,3)26-33-25(38-34-26)24(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16/h9-15,21,24H,5-8,16-17H2,1-4H3,(H,32,37)(H,30,33,34);9-15,21H,5-8H2,1-4H3,(H,31,37)(H,29,32,33);4*7-10,12-14,19H,5-6,11H2,1-4H3,(H,30,36)(H,28,31,32)/t;21-;4*19-/m.11010/s1
InChIKeyRZMIBOWHDIXLTJ-NATVFAJOSA-N
MW3074.54 g/mol
LogP27.30
Rot. Bonds24

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

5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide (PubChem CID 167661282) has the molecular formula C165H177N47O16 and a molecular weight of 3074.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide
PubChem CID167661282
Molecular FormulaC165H177N47O16
Molecular Weight3074.54 g/mol
Exact Mass3072.45
IUPAC Name5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1
InChIInChI=1S/C29H35N7O2.C28H30N8O2.4C27H28N8O3/c1-29(2,3)38-21-16-36(17-21)28(37)32-24-8-6-5-7-18-13-19(9-10-22(18)24)23-11-12-30-27-25(23)33-26(34-27)20-14-31-35(4)15-20;1-28(2,3)27-35-34-26(38-27)25(37)31-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-29-24-22(20)32-23(33-24)18-14-30-36(4)15-18;2*1-27(2,3)26-33-24(34-38-26)25(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16;2*1-27(2,3)26-33-25(38-34-26)24(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16/h9-15,21,24H,5-8,16-17H2,1-4H3,(H,32,37)(H,30,33,34);9-15,21H,5-8H2,1-4H3,(H,31,37)(H,29,32,33);4*7-10,12-14,19H,5-6,11H2,1-4H3,(H,30,36)(H,28,31,32)/t;21-;4*19-/m.11010/s1
InChIKeyRZMIBOWHDIXLTJ-NATVFAJOSA-N
XLogP27.30
TPSA774.93 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds24
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003074.54
LogP ≤ 527.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide (CID 167661282) is 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cn1.
What is the InChIKey of 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
The InChIKey is RZMIBOWHDIXLTJ-NATVFAJOSA-N. The full InChI is InChI=1S/C29H35N7O2.C28H30N8O2.4C27H28N8O3/c1-29(2,3)38-21-16-36(17-21)28(37)32-24-8-6-5-7-18-13-19(9-10-22(18)24)23-11-12-30-27-25(23)33-26(34-27)20-14-31-35(4)15-20;1-28(2,3)27-35-34-26(38-27)25(37)31-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-29-24-22(20)32-23(33-24)18-14-30-36(4)15-18;2*1-27(2,3)26-33-24(34-38-26)25(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16;2*1-27(2,3)26-33-25(38-34-26)24(36)30-19-6-5-11-37-20-12-15(7-8-18(19)20)17-9-10-28-23-21(17)31-22(32-23)16-13-29-35(4)14-16/h9-15,21,24H,5-8,16-17H2,1-4H3,(H,32,37)(H,30,33,34);9-15,21H,5-8H2,1-4H3,(H,31,37)(H,29,32,33);4*7-10,12-14,19H,5-6,11H2,1-4H3,(H,30,36)(H,28,31,32)/t;21-;4*19-/m.11010/s1.
What are the key properties of 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide has a molecular weight of 3074.54 g/mol, XLogP of 27.30, 24 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(5R)-2-[2-(1-methylpyrazol-4-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-[(5R)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5R)-8-[2-(1-methylpyrazol-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-[(5S)-8-[2-(1-methylpyrazol-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;3-[(2-methylpropan-2-yl)oxy]-N-[2-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide is sourced from PubChem (CID 167661282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).