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

C30H29F3N8O2 — CID 121249867

IUPAC3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cn5)[nH]c34)cc2F)n1
InChIInChI=1S/C30H29F3N8O2/c1-29(2,3)28-39-27(43-40-28)26(42)36-15-18-5-4-17(14-21(18)31)20-8-11-34-25-23(20)37-24(38-25)22-7-6-19(16-35-22)41-12-9-30(32,33)10-13-41/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,36,42)(H,34,37,38)
InChIKeyBOCOBLVWCBFPIY-UHFFFAOYSA-N
MW590.61 g/mol
LogP5.67
Rot. Bonds6

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

3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 121249867) has the molecular formula C30H29F3N8O2 and a molecular weight of 590.61 g/mol. Its IUPAC name is 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID121249867
Molecular FormulaC30H29F3N8O2
Molecular Weight590.61 g/mol
Exact Mass590.24
IUPAC Name3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cn5)[nH]c34)cc2F)n1
InChIInChI=1S/C30H29F3N8O2/c1-29(2,3)28-39-27(43-40-28)26(42)36-15-18-5-4-17(14-21(18)31)20-8-11-34-25-23(20)37-24(38-25)22-7-6-19(16-35-22)41-12-9-30(32,33)10-13-41/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,36,42)(H,34,37,38)
InChIKeyBOCOBLVWCBFPIY-UHFFFAOYSA-N
XLogP5.67
TPSA125.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.61
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 121249867) is 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cn5)[nH]c34)cc2F)n1.
What is the InChIKey of 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BOCOBLVWCBFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N8O2/c1-29(2,3)28-39-27(43-40-28)26(42)36-15-18-5-4-17(14-21(18)31)20-8-11-34-25-23(20)37-24(38-25)22-7-6-19(16-35-22)41-12-9-30(32,33)10-13-41/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,36,42)(H,34,37,38).
What are the key properties of 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 590.61 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[[4-[2-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 121249867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).