tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C92H109N19O7 — CID 167576453

About tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 167576453) has the molecular formula C92H109N19O7 and a molecular weight of 1593.01 g/mol. Its IUPAC name is tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
• PubChem CID: 167576453
• Molecular Formula: C92H109N19O7
• Molecular Weight: 1593.01 g/mol
• Exact Mass: 1591.88
• IUPAC Name: tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
• SMILES: COC(=O)c1nc(C(C)(C)C)no1.Cc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5N)c3C2)cnn1C(C)C.Cc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)OC(C)(C)C)c3C2)cnn1C(C)C.Cc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3C2)cnn1C(C)C
• InChI: InChI=1S/C31H35N7O2.C29H35N5O2.C24H27N5.C8H12N2O3/c1-17(2)38-18(3)24(16-33-38)26-15-23-21(12-13-32-27(23)34-26)20-10-11-22-19(14-20)8-7-9-25(22)35-28(39)29-36-30(37-40-29)31(4,5)6;1-17(2)34-18(3)24(16-31-34)26-15-23-21(12-13-30-27(23)32-26)20-10-11-22-19(14-20)8-7-9-25(22)33-28(35)36-29(4,5)6;1-14(2)29-15(3)21(13-27-29)23-12-20-18(9-10-26-24(20)28-23)17-7-8-19-16(11-17)5-4-6-22(19)25;1-8(2,3)7-9-5(13-10-7)6(11)12-4/h10-14,16-17,25H,7-9,15H2,1-6H3,(H,35,39);10-14,16-17,25H,7-9,15H2,1-6H3,(H,33,35);7-11,13-14,22H,4-6,12,25H2,1-3H3;1-4H3
• InChIKey: GPGGPWLRSRVGMO-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 326.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.01
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?

The IUPAC name of tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 167576453) is tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

What is the SMILES notation for tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?

The canonical SMILES for tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is COC(=O)c1nc(C(C)(C)C)no1.Cc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5N)c3C2)cnn1C(C)C.Cc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)OC(C)(C)C)c3C2)cnn1C(C)C.Cc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3C2)cnn1C(C)C.

What is the InChIKey of tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?

The InChIKey is GPGGPWLRSRVGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O2.C29H35N5O2.C24H27N5.C8H12N2O3/c1-17(2)38-18(3)24(16-33-38)26-15-23-21(12-13-32-27(23)34-26)20-10-11-22-19(14-20)8-7-9-25(22)35-28(39)29-36-30(37-40-29)31(4,5)6;1-17(2)34-18(3)24(16-31-34)26-15-23-21(12-13-30-27(23)32-26)20-10-11-22-19(14-20)8-7-9-25(22)33-28(35)36-29(4,5)6;1-14(2)29-15(3)21(13-27-29)23-12-20-18(9-10-26-24(20)28-23)17-7-8-19-16(11-17)5-4-6-22(19)25;1-8(2,3)7-9-5(13-10-7)6(11)12-4/h10-14,16-17,25H,7-9,15H2,1-6H3,(H,35,39);10-14,16-17,25H,7-9,15H2,1-6H3,(H,33,35);7-11,13-14,22H,4-6,12,25H2,1-3H3;1-4H3.

What are the key properties of tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?

tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 1593.01 g/mol, XLogP of 18.41, 13 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 167576453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).