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

C30H31FN8O3 — CID 121249710

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

3-tert-butyl-N-[[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 121249710) has the molecular formula C30H31FN8O3 and a molecular weight of 570.63 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-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-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 121249710
• Molecular Formula: C30H31FN8O3
• Molecular Weight: 570.63 g/mol
• Exact Mass: 570.25
• IUPAC Name: 3-tert-butyl-N-[[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-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(-c5ccc(CN6CCOCC6)cn5)[nH]c34)cc2F)n1
• InChI: InChI=1S/C30H31FN8O3/c1-30(2,3)29-37-28(42-38-29)27(40)34-16-20-6-5-19(14-22(20)31)21-8-9-32-26-24(21)35-25(36-26)23-7-4-18(15-33-23)17-39-10-12-41-13-11-39/h4-9,14-15H,10-13,16-17H2,1-3H3,(H,34,40)(H,32,35,36)
• InChIKey: HBCIKPBNNSYLFF-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 134.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.63
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-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-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 121249710) is 3-tert-butyl-N-[[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-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-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-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-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-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(-c5ccc(CN6CCOCC6)cn5)[nH]c34)cc2F)n1.

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

The InChIKey is HBCIKPBNNSYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O3/c1-30(2,3)29-37-28(42-38-29)27(40)34-16-20-6-5-19(14-22(20)31)21-8-9-32-26-24(21)35-25(36-26)23-7-4-18(15-33-23)17-39-10-12-41-13-11-39/h4-9,14-15H,10-13,16-17H2,1-3H3,(H,34,40)(H,32,35,36).

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

3-tert-butyl-N-[[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 570.63 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 121249710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).