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

C26H27FN6O3 — CID 121249700

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccc(-c3ccnc4nc(C5CCNC(=O)C5)[nH]c34)cc2F)no1
InChIInChI=1S/C26H27FN6O3/c1-26(2,3)20-12-19(33-36-20)25(35)30-13-16-5-4-14(10-18(16)27)17-7-9-29-24-22(17)31-23(32-24)15-6-8-28-21(34)11-15/h4-5,7,9-10,12,15H,6,8,11,13H2,1-3H3,(H,28,34)(H,30,35)(H,29,31,32)
InChIKeyDJOGQLAJUKKQBL-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.97
Rot. Bonds5

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

5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 121249700) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID121249700
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccc(-c3ccnc4nc(C5CCNC(=O)C5)[nH]c34)cc2F)no1
InChIInChI=1S/C26H27FN6O3/c1-26(2,3)20-12-19(33-36-20)25(35)30-13-16-5-4-14(10-18(16)27)17-7-9-29-24-22(17)31-23(32-24)15-6-8-28-21(34)11-15/h4-5,7,9-10,12,15H,6,8,11,13H2,1-3H3,(H,28,34)(H,30,35)(H,29,31,32)
InChIKeyDJOGQLAJUKKQBL-UHFFFAOYSA-N
XLogP3.97
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 121249700) is 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NCc2ccc(-c3ccnc4nc(C5CCNC(=O)C5)[nH]c34)cc2F)no1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DJOGQLAJUKKQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O3/c1-26(2,3)20-12-19(33-36-20)25(35)30-13-16-5-4-14(10-18(16)27)17-7-9-29-24-22(17)31-23(32-24)15-6-8-28-21(34)11-15/h4-5,7,9-10,12,15H,6,8,11,13H2,1-3H3,(H,28,34)(H,30,35)(H,29,31,32).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121249700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).