tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C116H140ClN25O10 — CID 167696265

About tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 167696265) has the molecular formula C116H140ClN25O10 and a molecular weight of 2080.01 g/mol. Its IUPAC name is tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
• PubChem CID: 167696265
• Molecular Formula: C116H140ClN25O10
• Molecular Weight: 2080.01 g/mol
• Exact Mass: 2078.09
• IUPAC Name: tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
• SMILES: CC(C)(C)OC(=O)CC1CCCc2cc(-c3ccnc(N)c3N)ccc21.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)OC(C)(C)C)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5N)c3[nH]2)cn1.CC(C)n1cc(C=O)cn1.COC(=O)c1nc(C(C)(C)C)no1.Cl
• InChI: InChI=1S/C30H33N7O2.C28H33N5O2.C22H24N6.C21H27N3O2.C8H12N2O3.C7H10N2O.ClH/c1-17(2)37-16-21(15-32-37)26-33-25-23(11-12-31-27(25)34-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(38)28-35-29(36-39-28)30(3,4)5;1-17(2)33-16-21(15-30-33)26-31-25-23(11-12-29-27(25)32-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(34)35-28(3,4)5;1-13(2)28-12-16(11-25-28)21-26-20-18(8-9-24-22(20)27-21)15-6-7-17-14(10-15)4-3-5-19(17)23;1-21(2,3)26-18(25)12-14-6-4-5-13-11-15(7-8-16(13)14)17-9-10-24-20(23)19(17)22;1-8(2,3)7-9-5(13-10-7)6(11)12-4;1-6(2)9-4-7(5-10)3-8-9;/h9-13,15-17,19H,6-8,14H2,1-5H3,(H,31,33,34);9-13,15-17,19H,6-8,14H2,1-5H3,(H,29,31,32);6-13,19H,3-5,23H2,1-2H3,(H,24,26,27);7-11,14H,4-6,12,22H2,1-3H3,(H2,23,24);1-4H3;3-6H,1-2H3;1H
• InChIKey: UPVMFQUUGMFBFK-UHFFFAOYSA-N
• XLogP: 23.99
• TPSA: 477.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.01
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?

The IUPAC name of tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 167696265) is tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

What is the SMILES notation for tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?

The canonical SMILES for tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CC(C)(C)OC(=O)CC1CCCc2cc(-c3ccnc(N)c3N)ccc21.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)OC(C)(C)C)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5CC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5N)c3[nH]2)cn1.CC(C)n1cc(C=O)cn1.COC(=O)c1nc(C(C)(C)C)no1.Cl.

What is the InChIKey of tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?

The InChIKey is UPVMFQUUGMFBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2.C28H33N5O2.C22H24N6.C21H27N3O2.C8H12N2O3.C7H10N2O.ClH/c1-17(2)37-16-21(15-32-37)26-33-25-23(11-12-31-27(25)34-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(38)28-35-29(36-39-28)30(3,4)5;1-17(2)33-16-21(15-30-33)26-31-25-23(11-12-29-27(25)32-26)20-9-10-22-18(13-20)7-6-8-19(22)14-24(34)35-28(3,4)5;1-13(2)28-12-16(11-25-28)21-26-20-18(8-9-24-22(20)27-21)15-6-7-17-14(10-15)4-3-5-19(17)23;1-21(2,3)26-18(25)12-14-6-4-5-13-11-15(7-8-16(13)14)17-9-10-24-20(23)19(17)22;1-8(2,3)7-9-5(13-10-7)6(11)12-4;1-6(2)9-4-7(5-10)3-8-9;/h9-13,15-17,19H,6-8,14H2,1-5H3,(H,31,33,34);9-13,15-17,19H,6-8,14H2,1-5H3,(H,29,31,32);6-13,19H,3-5,23H2,1-2H3,(H,24,26,27);7-11,14H,4-6,12,22H2,1-3H3,(H2,23,24);1-4H3;3-6H,1-2H3;1H.

What are the key properties of tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?

tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 2080.01 g/mol, XLogP of 23.99, 20 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[6-(2,3-diamino-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone;tert-butyl 2-[6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;1-propan-2-ylpyrazole-4-carbaldehyde;6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 167696265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).