5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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

C125H142N32O10 — CID 167632681

IUPAC5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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
SMILESCC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1
InChIInChI=1S/2C33H38N8O3.C30H34N8O2.C29H32N8O2/c2*1-19-25(18-35-41(19)22-12-15-43-16-13-22)28-37-27-24(11-14-34-29(27)38-28)21-9-10-23-20(17-21)7-5-6-8-26(23)36-30(42)31-39-40-32(44-31)33(2,3)4;1-16-23(17(2)38(6)37-16)25-33-24-21(13-14-31-26(24)34-25)19-11-12-20-18(15-19)9-7-8-10-22(20)32-27(39)28-35-36-29(40-28)30(3,4)5;1-16(2)37-15-19(14-31-37)24-33-23-21(11-12-30-25(23)34-24)18-9-10-20-17(13-18)7-6-8-22(20)32-26(38)27-35-28(36-39-27)29(3,4)5/h2*9-11,14,17-18,22,26H,5-8,12-13,15-16H2,1-4H3,(H,36,42)(H,34,37,38);11-15,22H,7-10H2,1-6H3,(H,32,39)(H,31,33,34);9-16,22H,6-8H2,1-5H3,(H,32,38)(H,30,33,34)/t26-;;2*22-/m1.00/s1
InChIKeyOAJPQSBXHQBMDK-SUNDSQIMSA-N
MW2252.72 g/mol
LogP23.13
Rot. Bonds19

About 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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

5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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 (PubChem CID 167632681) has the molecular formula C125H142N32O10 and a molecular weight of 2252.72 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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.

Molecular Properties

Compound Name5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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
PubChem CID167632681
Molecular FormulaC125H142N32O10
Molecular Weight2252.72 g/mol
Exact Mass2251.16
IUPAC Name5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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
SMILESCC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1
InChIInChI=1S/2C33H38N8O3.C30H34N8O2.C29H32N8O2/c2*1-19-25(18-35-41(19)22-12-15-43-16-13-22)28-37-27-24(11-14-34-29(27)38-28)21-9-10-23-20(17-21)7-5-6-8-26(23)36-30(42)31-39-40-32(44-31)33(2,3)4;1-16-23(17(2)38(6)37-16)25-33-24-21(13-14-31-26(24)34-25)19-11-12-20-18(15-19)9-7-8-10-22(20)32-27(39)28-35-36-29(40-28)30(3,4)5;1-16(2)37-15-19(14-31-37)24-33-23-21(11-12-30-25(23)34-24)18-9-10-20-17(13-18)7-6-8-22(20)32-26(38)27-35-28(36-39-27)29(3,4)5/h2*9-11,14,17-18,22,26H,5-8,12-13,15-16H2,1-4H3,(H,36,42)(H,34,37,38);11-15,22H,7-10H2,1-6H3,(H,32,39)(H,31,33,34);9-16,22H,6-8H2,1-5H3,(H,32,38)(H,30,33,34)/t26-;;2*22-/m1.00/s1
InChIKeyOAJPQSBXHQBMDK-SUNDSQIMSA-N
XLogP23.13
TPSA528.10 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002252.72
LogP ≤ 523.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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 with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437256
3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437414
3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437167
3-tert-butyl-N-[[4-[6-[[4-[7-[4-[[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 148307674
5-tert-butyl-N-[[2-fluoro-4-[2-[5-[[7-[3-fluoro-4-[(pyridin-3-ylmethylamino)methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl-methylamino]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 149031334
3-tert-butyl-N-[[2-fluoro-4-[2-[1-[3-methyl-3-[5-[[4-[2-[1-methyl-4-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]butyl]-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803311
3-tert-butyl-N-[[4-[2-[1-[1-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-nitrophenyl]-2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803772
3-tert-butyl-N-[[4-[2-[1-[1-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-(trifluoromethyl)phenyl]-2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-5-yl]propan-2-yl]-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803849
US12415803, Example 79
CID 146437114
US12415803, Example 80
CID 146437116
US12415803, Example 120
CID 146437176
US12415803, Example 104
CID 146437192

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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?
The IUPAC name of 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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 (CID 167632681) is 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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.
What is the SMILES notation for 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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?
The canonical SMILES for 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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 is CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[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-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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?
The InChIKey is OAJPQSBXHQBMDK-SUNDSQIMSA-N. The full InChI is InChI=1S/2C33H38N8O3.C30H34N8O2.C29H32N8O2/c2*1-19-25(18-35-41(19)22-12-15-43-16-13-22)28-37-27-24(11-14-34-29(27)38-28)21-9-10-23-20(17-21)7-5-6-8-26(23)36-30(42)31-39-40-32(44-31)33(2,3)4;1-16-23(17(2)38(6)37-16)25-33-24-21(13-14-31-26(24)34-25)19-11-12-20-18(15-19)9-7-8-10-22(20)32-27(39)28-35-36-29(40-28)30(3,4)5;1-16(2)37-15-19(14-31-37)24-33-23-21(11-12-30-25(23)34-24)18-9-10-20-17(13-18)7-6-8-22(20)32-26(38)27-35-28(36-39-27)29(3,4)5/h2*9-11,14,17-18,22,26H,5-8,12-13,15-16H2,1-4H3,(H,36,42)(H,34,37,38);11-15,22H,7-10H2,1-6H3,(H,32,39)(H,31,33,34);9-16,22H,6-8H2,1-5H3,(H,32,38)(H,30,33,34)/t26-;;2*22-/m1.00/s1.
What are the key properties of 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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?
5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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 has a molecular weight of 2252.72 g/mol, XLogP of 23.13, 19 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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;5-tert-butyl-N-[(5R)-2-[2-[5-methyl-1-(oxan-4-yl)pyrazol-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-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1,3,5-trimethylpyrazol-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 is sourced from PubChem (CID 167632681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).