2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

C20H18ClF2N5O2 — CID 129116683

IUPAC2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCOCC1Cn2cc(-c3nc(Cl)ncc3C)nc2C(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H18ClF2N5O2/c1-11-6-24-20(21)26-17(11)16-9-27-8-13(10-30-2)28(19(29)18(27)25-16)7-12-3-4-14(22)15(23)5-12/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyDHPAIROIAXACNO-UHFFFAOYSA-N
MW433.85 g/mol
LogP3.25
Rot. Bonds5

About 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 129116683) has the molecular formula C20H18ClF2N5O2 and a molecular weight of 433.85 g/mol. Its IUPAC name is 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID129116683
Molecular FormulaC20H18ClF2N5O2
Molecular Weight433.85 g/mol
Exact Mass433.11
IUPAC Name2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCOCC1Cn2cc(-c3nc(Cl)ncc3C)nc2C(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H18ClF2N5O2/c1-11-6-24-20(21)26-17(11)16-9-27-8-13(10-30-2)28(19(29)18(27)25-16)7-12-3-4-14(22)15(23)5-12/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyDHPAIROIAXACNO-UHFFFAOYSA-N
XLogP3.25
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (CID 129116683) is 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is COCC1Cn2cc(-c3nc(Cl)ncc3C)nc2C(=O)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is DHPAIROIAXACNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N5O2/c1-11-6-24-20(21)26-17(11)16-9-27-8-13(10-30-2)28(19(29)18(27)25-16)7-12-3-4-14(22)15(23)5-12/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 433.85 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylpyrimidin-4-yl)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129116683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).