3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C29H32FN9O3 — CID 121250008

About 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 121250008) has the molecular formula C29H32FN9O3 and a molecular weight of 573.63 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 121250008
• Molecular Formula: C29H32FN9O3
• Molecular Weight: 573.63 g/mol
• Exact Mass: 573.26
• IUPAC Name: 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)n1
• InChI: InChI=1S/C29H32FN9O3/c1-29(2,3)28-36-27(42-37-28)26(40)32-15-19-5-4-18(14-22(19)30)21-6-7-31-25-23(21)34-24(35-25)20-16-33-39(17-20)9-8-38-10-12-41-13-11-38/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,32,40)(H,31,34,35)
• InChIKey: JAOZSTQBDRTAJA-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 139.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.63
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 121250008) is 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

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

The canonical SMILES for 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)n1.

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

The InChIKey is JAOZSTQBDRTAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN9O3/c1-29(2,3)28-36-27(42-37-28)26(40)32-15-19-5-4-18(14-22(19)30)21-6-7-31-25-23(21)34-24(35-25)20-16-33-39(17-20)9-8-38-10-12-41-13-11-38/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,32,40)(H,31,34,35).

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

3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 573.63 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 121250008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).