3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C29H30F3N9O2 — CID 171803468

About 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 171803468) has the molecular formula C29H30F3N9O2 and a molecular weight of 593.61 g/mol. Its IUPAC name is 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 171803468
• Molecular Formula: C29H30F3N9O2
• Molecular Weight: 593.61 g/mol
• Exact Mass: 593.25
• IUPAC Name: 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C6CCCNC6)c5)[nH]c34)cc2C(F)(F)F)n1
• InChI: InChI=1S/C29H30F3N9O2/c1-28(2,3)27-39-26(43-40-27)25(42)35-12-17-7-6-16(11-21(17)29(30,31)32)20-8-10-34-24-22(20)37-23(38-24)18-13-36-41(15-18)19-5-4-9-33-14-19/h6-8,10-11,13,15,19,33H,4-5,9,12,14H2,1-3H3,(H,35,42)(H,34,37,38)
• InChIKey: IHYATBIBXRBFKK-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 139.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.61
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 171803468) is 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C6CCCNC6)c5)[nH]c34)cc2C(F)(F)F)n1.

What is the InChIKey of 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is IHYATBIBXRBFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N9O2/c1-28(2,3)27-39-26(43-40-27)25(42)35-12-17-7-6-16(11-21(17)29(30,31)32)20-8-10-34-24-22(20)37-23(38-24)18-13-36-41(15-18)19-5-4-9-33-14-19/h6-8,10-11,13,15,19,33H,4-5,9,12,14H2,1-3H3,(H,35,42)(H,34,37,38).

What are the key properties of 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 593.61 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[4-[2-(1-piperidin-3-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 171803468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).