N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

C22H23FN8O3 — CID 134454046

IUPACN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4F)n3)c(-c3cnccn3)n2)CC1
InChIInChI=1S/C22H23FN8O3/c1-2-33-14-5-3-13(4-6-14)31-11-17(19(30-31)16-10-24-7-8-25-16)27-21(32)18-12-34-22(28-18)15-9-26-29-20(15)23/h7-14H,2-6H2,1H3,(H,26,29)(H,27,32)
InChIKeyYVMXKZBUNCZQJE-UHFFFAOYSA-N
MW466.48 g/mol
LogP3.63
Rot. Bonds7

About N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 134454046) has the molecular formula C22H23FN8O3 and a molecular weight of 466.48 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID134454046
Molecular FormulaC22H23FN8O3
Molecular Weight466.48 g/mol
Exact Mass466.19
IUPAC NameN-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4F)n3)c(-c3cnccn3)n2)CC1
InChIInChI=1S/C22H23FN8O3/c1-2-33-14-5-3-13(4-6-14)31-11-17(19(30-31)16-10-24-7-8-25-16)27-21(32)18-12-34-22(28-18)15-9-26-29-20(15)23/h7-14H,2-6H2,1H3,(H,26,29)(H,27,32)
InChIKeyYVMXKZBUNCZQJE-UHFFFAOYSA-N
XLogP3.63
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 134454046) is N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4F)n3)c(-c3cnccn3)n2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is YVMXKZBUNCZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O3/c1-2-33-14-5-3-13(4-6-14)31-11-17(19(30-31)16-10-24-7-8-25-16)27-21(32)18-12-34-22(28-18)15-9-26-29-20(15)23/h7-14H,2-6H2,1H3,(H,26,29)(H,27,32).
What are the key properties of N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 466.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134454046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).