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

C32H37N7O2 — CID 167566990

About 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

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 (PubChem CID 167566990) has the molecular formula C32H37N7O2 and a molecular weight of 551.70 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167566990
• Molecular Formula: C32H37N7O2
• Molecular Weight: 551.70 g/mol
• Exact Mass: 551.30
• IUPAC Name: 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
• SMILES: Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
• InChI: InChI=1S/C32H37N7O2/c1-18(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/h11-18,26H,7-10H2,1-6H3,(H,33,34)(H,35,40)/t26-/m0/s1
• InChIKey: MKFWUNIKDQINNJ-SANMLTNESA-N
• XLogP: 6.86
• TPSA: 114.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.70
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nn(C(C)C)cc1-c1cc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1.

What is the InChIKey of 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?

The InChIKey is MKFWUNIKDQINNJ-SANMLTNESA-N. The full InChI is InChI=1S/C32H37N7O2/c1-18(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/h11-18,26H,7-10H2,1-6H3,(H,33,34)(H,35,40)/t26-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 551.70 g/mol, XLogP of 6.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167566990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).