6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine

C18H11Cl2F2N5 — CID 142611005

IUPAC6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine
SMILESCc1c(F)cc(Cc2nc(-c3ncc(Cl)c(Cl)n3)cn3ccnc23)cc1F
InChIInChI=1S/C18H11Cl2F2N5/c1-9-12(21)4-10(5-13(9)22)6-14-18-23-2-3-27(18)8-15(25-14)17-24-7-11(19)16(20)26-17/h2-5,7-8H,6H2,1H3
InChIKeyQYEPWOKJGDTMDL-UHFFFAOYSA-N
MW406.22 g/mol
LogP4.67
Rot. Bonds3

About 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine

6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine (PubChem CID 142611005) has the molecular formula C18H11Cl2F2N5 and a molecular weight of 406.22 g/mol. Its IUPAC name is 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine
PubChem CID142611005
Molecular FormulaC18H11Cl2F2N5
Molecular Weight406.22 g/mol
Exact Mass405.04
IUPAC Name6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine
SMILESCc1c(F)cc(Cc2nc(-c3ncc(Cl)c(Cl)n3)cn3ccnc23)cc1F
InChIInChI=1S/C18H11Cl2F2N5/c1-9-12(21)4-10(5-13(9)22)6-14-18-23-2-3-27(18)8-15(25-14)17-24-7-11(19)16(20)26-17/h2-5,7-8H,6H2,1H3
InChIKeyQYEPWOKJGDTMDL-UHFFFAOYSA-N
XLogP4.67
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine (CID 142611005) is 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine is Cc1c(F)cc(Cc2nc(-c3ncc(Cl)c(Cl)n3)cn3ccnc23)cc1F.
What is the InChIKey of 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine?
The InChIKey is QYEPWOKJGDTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F2N5/c1-9-12(21)4-10(5-13(9)22)6-14-18-23-2-3-27(18)8-15(25-14)17-24-7-11(19)16(20)26-17/h2-5,7-8H,6H2,1H3.
What are the key properties of 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine?
6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine has a molecular weight of 406.22 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142611005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).