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

C26H26FN7O2 — CID 121249992

IUPAC5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)on5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C26H26FN7O2/c1-5-34-14-17(13-30-34)23-31-22-18(8-9-28-24(22)32-23)15-6-7-16(19(27)10-15)12-29-25(35)20-11-21(36-33-20)26(2,3)4/h6-11,13-14H,5,12H2,1-4H3,(H,29,35)(H,28,31,32)
InChIKeyIPOIGVMQQXPCRW-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.86
Rot. Bonds6

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

5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 121249992) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID121249992
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)on5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C26H26FN7O2/c1-5-34-14-17(13-30-34)23-31-22-18(8-9-28-24(22)32-23)15-6-7-16(19(27)10-15)12-29-25(35)20-11-21(36-33-20)26(2,3)4/h6-11,13-14H,5,12H2,1-4H3,(H,29,35)(H,28,31,32)
InChIKeyIPOIGVMQQXPCRW-UHFFFAOYSA-N
XLogP4.86
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]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-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide (CID 121249992) is 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide is CCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)on5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IPOIGVMQQXPCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-5-34-14-17(13-30-34)23-31-22-18(8-9-28-24(22)32-23)15-6-7-16(19(27)10-15)12-29-25(35)20-11-21(36-33-20)26(2,3)4/h6-11,13-14H,5,12H2,1-4H3,(H,29,35)(H,28,31,32).
What are the key properties of 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121249992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).