2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

C19H17F3IN3O2 — CID 70256321

IUPAC2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)cn2cc(I)cc2c1=O
InChIInChI=1S/C19H17F3IN3O2/c1-11(2)24-17(27)10-26-16(9-25-8-14(23)7-15(25)18(26)28)12-4-3-5-13(6-12)19(20,21)22/h3-9,11H,10H2,1-2H3,(H,24,27)
InChIKeyGZDDLWCWYVQUCR-UHFFFAOYSA-N
MW503.26 g/mol
LogP3.92
Rot. Bonds4

About 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 70256321) has the molecular formula C19H17F3IN3O2 and a molecular weight of 503.26 g/mol. Its IUPAC name is 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
PubChem CID70256321
Molecular FormulaC19H17F3IN3O2
Molecular Weight503.26 g/mol
Exact Mass503.03
IUPAC Name2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)cn2cc(I)cc2c1=O
InChIInChI=1S/C19H17F3IN3O2/c1-11(2)24-17(27)10-26-16(9-25-8-14(23)7-15(25)18(26)28)12-4-3-5-13(6-12)19(20,21)22/h3-9,11H,10H2,1-2H3,(H,24,27)
InChIKeyGZDDLWCWYVQUCR-UHFFFAOYSA-N
XLogP3.92
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide
CID 68995182
2-[7-(4-hydroxybut-1-ynyl)-3-(3-methylphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 68995794
2-[3-(3-methoxyphenyl)-7-[4-(2-methylpiperidin-1-yl)butyl]-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 70255506
N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 40752351
2-[3-(4-chlorophenyl)-5-oxo-1-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
CID 58012006
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 51368875
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78778352
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684
2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95726046
2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25217348

Frequently Asked Questions

What is the IUPAC name of 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (CID 70256321) is 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)cn2cc(I)cc2c1=O.
What is the InChIKey of 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is GZDDLWCWYVQUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3IN3O2/c1-11(2)24-17(27)10-26-16(9-25-8-14(23)7-15(25)18(26)28)12-4-3-5-13(6-12)19(20,21)22/h3-9,11H,10H2,1-2H3,(H,24,27).
What are the key properties of 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 503.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 70256321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).