N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide

C25H25F3N8O4 — CID 66590946

IUPACN-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2-c2cnc(N)c(OC)n2)n1
InChIInChI=1S/C25H25F3N8O4/c1-13(33-18(37)12-38-2)10-32-24-30-9-8-16(35-24)20-19(17-11-31-21(29)23(34-17)39-3)36-22(40-20)14-4-6-15(7-5-14)25(26,27)28/h4-9,11,13H,10,12H2,1-3H3,(H2,29,31)(H,33,37)(H,30,32,35)
InChIKeyHIVLWTIPSSVWFV-UHFFFAOYSA-N
MW558.52 g/mol
LogP3.43
Rot. Bonds10

About N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide

N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide (PubChem CID 66590946) has the molecular formula C25H25F3N8O4 and a molecular weight of 558.52 g/mol. Its IUPAC name is N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
PubChem CID66590946
Molecular FormulaC25H25F3N8O4
Molecular Weight558.52 g/mol
Exact Mass558.20
IUPAC NameN-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2-c2cnc(N)c(OC)n2)n1
InChIInChI=1S/C25H25F3N8O4/c1-13(33-18(37)12-38-2)10-32-24-30-9-8-16(35-24)20-19(17-11-31-21(29)23(34-17)39-3)36-22(40-20)14-4-6-15(7-5-14)25(26,27)28/h4-9,11,13H,10,12H2,1-3H3,(H2,29,31)(H,33,37)(H,30,32,35)
InChIKeyHIVLWTIPSSVWFV-UHFFFAOYSA-N
XLogP3.43
TPSA163.20 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.52
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide (CID 66590946) is N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide is COCC(=O)NC(C)CNc1nccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2-c2cnc(N)c(OC)n2)n1.
What is the InChIKey of N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
The InChIKey is HIVLWTIPSSVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O4/c1-13(33-18(37)12-38-2)10-32-24-30-9-8-16(35-24)20-19(17-11-31-21(29)23(34-17)39-3)36-22(40-20)14-4-6-15(7-5-14)25(26,27)28/h4-9,11,13H,10,12H2,1-3H3,(H2,29,31)(H,33,37)(H,30,32,35).
What are the key properties of N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide?
N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide has a molecular weight of 558.52 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 66590946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).