N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide

C22H17F2N3O3 — CID 139341591

IUPACN-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1
InChIInChI=1S/C22H17F2N3O3/c1-12-9-18(27-8-7-25-22(29)21(12)27)16-11-15(26-13(2)28)4-6-19(16)30-20-5-3-14(23)10-17(20)24/h3-11H,1-2H3,(H,25,29)(H,26,28)
InChIKeyBBACDMDIGLLXBW-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.63
Rot. Bonds4

About N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide

N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide (PubChem CID 139341591) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide
PubChem CID139341591
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1
InChIInChI=1S/C22H17F2N3O3/c1-12-9-18(27-8-7-25-22(29)21(12)27)16-11-15(26-13(2)28)4-6-19(16)30-20-5-3-14(23)10-17(20)24/h3-11H,1-2H3,(H,25,29)(H,26,28)
InChIKeyBBACDMDIGLLXBW-UHFFFAOYSA-N
XLogP4.63
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide (CID 139341591) is N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide?
The InChIKey is BBACDMDIGLLXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c1-12-9-18(27-8-7-25-22(29)21(12)27)16-11-15(26-13(2)28)4-6-19(16)30-20-5-3-14(23)10-17(20)24/h3-11H,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide?
N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide has a molecular weight of 409.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 139341591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).