3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide

C180H198N46O12 — CID 167566989

IUPAC3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)N[C@@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1.CC(C)(C)c1noc(C(=O)N[C@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1.Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1.Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1.Cc1nn(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)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
InChIInChI=1S/2C32H37N7O2.2C29H30N8O2.2C29H32N8O2/c2*1-18(2)39-17-25(19(3)38-39)27-16-24-22(13-14-33-28(24)34-27)21-11-12-23-20(15-21)9-7-8-10-26(23)35-29(40)30-36-37-31(41-30)32(4,5)6;2*1-29(2,3)28-35-27(39-36-28)26(38)32-22-6-4-5-16-13-17(7-10-20(16)22)21-11-12-30-25-23(21)33-24(34-25)18-14-31-37(15-18)19-8-9-19;2*1-15-22(16(2)37(6)35-15)24-32-23-20(12-13-30-25(23)33-24)18-10-11-19-17(14-18)8-7-9-21(19)31-26(38)27-34-28(36-39-27)29(3,4)5/h2*11-18,26H,7-10H2,1-6H3,(H,33,34)(H,35,40);2*7,10-15,19,22H,4-6,8-9H2,1-3H3,(H,32,38)(H,30,33,34);2*10-14,21H,7-9H2,1-6H3,(H,31,38)(H,30,32,33)/t2*26-;2*22-;2*21-/m101010/s1
InChIKeyFKGYNMPVGXVDEI-FIEUAFILSA-N
MW3197.87 g/mol
LogP34.60
Rot. Bonds28

About 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 167566989) has the molecular formula C180H198N46O12 and a molecular weight of 3197.87 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID167566989
Molecular FormulaC180H198N46O12
Molecular Weight3197.87 g/mol
Exact Mass3195.63
IUPAC Name3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)N[C@@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1.CC(C)(C)c1noc(C(=O)N[C@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1.Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1.Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1.Cc1nn(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)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
InChIInChI=1S/2C32H37N7O2.2C29H30N8O2.2C29H32N8O2/c2*1-18(2)39-17-25(19(3)38-39)27-16-24-22(13-14-33-28(24)34-27)21-11-12-23-20(15-21)9-7-8-10-26(23)35-29(40)30-36-37-31(41-30)32(4,5)6;2*1-29(2,3)28-35-27(39-36-28)26(38)32-22-6-4-5-16-13-17(7-10-20(16)22)21-11-12-30-25-23(21)33-24(34-25)18-14-31-37(15-18)19-8-9-19;2*1-15-22(16(2)37(6)35-15)24-32-23-20(12-13-30-25(23)33-24)18-10-11-19-17(14-18)8-7-9-21(19)31-26(38)27-34-28(36-39-27)29(3,4)5/h2*11-18,26H,7-10H2,1-6H3,(H,33,34)(H,35,40);2*7,10-15,19,22H,4-6,8-9H2,1-3H3,(H,32,38)(H,30,33,34);2*10-14,21H,7-9H2,1-6H3,(H,31,38)(H,30,32,33)/t2*26-;2*22-;2*21-/m101010/s1
InChIKeyFKGYNMPVGXVDEI-FIEUAFILSA-N
XLogP34.60
TPSA738.68 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds28
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003197.87
LogP ≤ 534.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Analyze 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-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-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (CID 167566989) is 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)N[C@@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1.CC(C)(C)c1noc(C(=O)N[C@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1.Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1.Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1.Cc1nn(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)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.
What is the InChIKey of 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FKGYNMPVGXVDEI-FIEUAFILSA-N. The full InChI is InChI=1S/2C32H37N7O2.2C29H30N8O2.2C29H32N8O2/c2*1-18(2)39-17-25(19(3)38-39)27-16-24-22(13-14-33-28(24)34-27)21-11-12-23-20(15-21)9-7-8-10-26(23)35-29(40)30-36-37-31(41-30)32(4,5)6;2*1-29(2,3)28-35-27(39-36-28)26(38)32-22-6-4-5-16-13-17(7-10-20(16)22)21-11-12-30-25-23(21)33-24(34-25)18-14-31-37(15-18)19-8-9-19;2*1-15-22(16(2)37(6)35-15)24-32-23-20(12-13-30-25(23)33-24)18-10-11-19-17(14-18)8-7-9-21(19)31-26(38)27-34-28(36-39-27)29(3,4)5/h2*11-18,26H,7-10H2,1-6H3,(H,33,34)(H,35,40);2*7,10-15,19,22H,4-6,8-9H2,1-3H3,(H,32,38)(H,30,33,34);2*10-14,21H,7-9H2,1-6H3,(H,31,38)(H,30,32,33)/t2*26-;2*22-;2*21-/m101010/s1.
What are the key properties of 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-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-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 3197.87 g/mol, XLogP of 34.60, 28 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(1R)-6-[2-(1-cyclopropylpyrazol-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-(1-cyclopropylpyrazol-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-[(5R)-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;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;3-tert-butyl-N-[(1R)-6-[2-(1,3,5-trimethylpyrazol-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-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 167566989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).