3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide

C186H212N44O12 — CID 167694820

IUPAC3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3cc(C(C)(C)C)on3)c2[nH]1
InChIInChI=1S/2C31H36N8O2.4C31H35N7O2/c2*1-16(2)39-18(4)24(17(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-8-10-23(21)33-28(40)29-36-30(38-41-29)31(5,6)7;1-17-26(18(2)38(6)36-17)28-34-27-22(13-14-32-29(27)35-28)20-11-12-21-19(15-20)9-7-8-10-23(21)33-30(39)24-16-25(40-37-24)31(3,4)5;3*1-18(2)38-17-21(16-33-38)28-35-27-23(12-13-32-29(27)36-28)20-10-11-22-19(14-20)8-6-7-9-24(22)34-30(39)25-15-26(40-37-25)31(3,4)5/h2*11-16,23H,8-10H2,1-7H3,(H,33,40)(H,32,34,35);11-16,23H,7-10H2,1-6H3,(H,33,39)(H,32,34,35);3*10-18,24H,6-9H2,1-5H3,(H,34,39)(H,32,35,36)/t2*23-;;2*24-;/m10.10./s1
InChIKeyXMLIRRKZJIHQOT-QGFXSUNYSA-N
MW3256.04 g/mol
LogP38.13
Rot. Bonds29

About 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide

3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide (PubChem CID 167694820) has the molecular formula C186H212N44O12 and a molecular weight of 3256.04 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide
PubChem CID167694820
Molecular FormulaC186H212N44O12
Molecular Weight3256.04 g/mol
Exact Mass3253.73
IUPAC Name3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3cc(C(C)(C)C)on3)c2[nH]1
InChIInChI=1S/2C31H36N8O2.4C31H35N7O2/c2*1-16(2)39-18(4)24(17(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-8-10-23(21)33-28(40)29-36-30(38-41-29)31(5,6)7;1-17-26(18(2)38(6)36-17)28-34-27-22(13-14-32-29(27)35-28)20-11-12-21-19(15-20)9-7-8-10-23(21)33-30(39)24-16-25(40-37-24)31(3,4)5;3*1-18(2)38-17-21(16-33-38)28-35-27-23(12-13-32-29(27)36-28)20-10-11-22-19(14-20)8-6-7-9-24(22)34-30(39)25-15-26(40-37-25)31(3,4)5/h2*11-16,23H,8-10H2,1-7H3,(H,33,40)(H,32,34,35);11-16,23H,7-10H2,1-6H3,(H,33,39)(H,32,34,35);3*10-18,24H,6-9H2,1-5H3,(H,34,39)(H,32,35,36)/t2*23-;;2*24-;/m10.10./s1
InChIKeyXMLIRRKZJIHQOT-QGFXSUNYSA-N
XLogP38.13
TPSA712.90 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds29
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003256.04
LogP ≤ 538.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-N-[(5S)-2-[2-(3,5-dimethyl-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 146437214
tert-butyl N-[2-[2-(3,5-dimethyl-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]carbamate
CID 146437141
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
CID 146437157
3-tert-butyl-N-[2-[2-(2-ethyl-3-methyl-1H-pyrazol-2-ium-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 166047921
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 167591304
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]-1,2,4-oxadiazole-3-carboxamide
CID 146437395
(methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-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]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate
CID 146437263
3-(1-methylcyclopropyl)-N-[6-[2-[5-methyl-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 146437247
3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
CID 146437182
3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
CID 172731006
5-tert-butyl-N-[(5S)-2-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3,4-oxadiazole-2-carboxamide
CID 167566990
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
CID 166047936

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide?
The IUPAC name of 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide (CID 167694820) is 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide is CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4cc(C(C)(C)C)on4)c3[nH]2)cn1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3cc(C(C)(C)C)on3)c2[nH]1.
What is the InChIKey of 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide?
The InChIKey is XMLIRRKZJIHQOT-QGFXSUNYSA-N. The full InChI is InChI=1S/2C31H36N8O2.4C31H35N7O2/c2*1-16(2)39-18(4)24(17(3)37-39)26-34-25-22(13-14-32-27(25)35-26)20-11-12-21-19(15-20)9-8-10-23(21)33-28(40)29-36-30(38-41-29)31(5,6)7;1-17-26(18(2)38(6)36-17)28-34-27-22(13-14-32-29(27)35-28)20-11-12-21-19(15-20)9-7-8-10-23(21)33-30(39)24-16-25(40-37-24)31(3,4)5;3*1-18(2)38-17-21(16-33-38)28-35-27-23(12-13-32-29(27)36-28)20-10-11-22-19(14-20)8-6-7-9-24(22)34-30(39)25-15-26(40-37-25)31(3,4)5/h2*11-16,23H,8-10H2,1-7H3,(H,33,40)(H,32,34,35);11-16,23H,7-10H2,1-6H3,(H,33,39)(H,32,34,35);3*10-18,24H,6-9H2,1-5H3,(H,34,39)(H,32,35,36)/t2*23-;;2*24-;/m10.10./s1.
What are the key properties of 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide?
3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide has a molecular weight of 3256.04 g/mol, XLogP of 38.13, 29 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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;3-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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-[2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(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-oxazole-3-carboxamide;5-tert-butyl-N-[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]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167694820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).