6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C17H16F2N2O2 — CID 71765212

IUPAC6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(O)c1ccc(-c2cn3c(C(F)F)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-17(2,23)11-5-3-10(4-6-11)12-9-21-13(15(18)19)7-8-14(21)16(22)20-12/h3-9,15,23H,1-2H3,(H,20,22)
InChIKeyBNBZGXSKENGPEU-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.46
Rot. Bonds3

About 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71765212) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71765212
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(O)c1ccc(-c2cn3c(C(F)F)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-17(2,23)11-5-3-10(4-6-11)12-9-21-13(15(18)19)7-8-14(21)16(22)20-12/h3-9,15,23H,1-2H3,(H,20,22)
InChIKeyBNBZGXSKENGPEU-UHFFFAOYSA-N
XLogP3.46
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71765212) is 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CC(C)(O)c1ccc(-c2cn3c(C(F)F)ccc3c(=O)[nH]2)cc1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is BNBZGXSKENGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-17(2,23)11-5-3-10(4-6-11)12-9-21-13(15(18)19)7-8-14(21)16(22)20-12/h3-9,15,23H,1-2H3,(H,20,22).
What are the key properties of 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 318.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71765212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).