(3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

C14H13F2N3O — CID 154860869

IUPAC(3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCc1cn2c(n1)CN(C(=O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C14H13F2N3O/c1-9-7-18-2-3-19(8-13(18)17-9)14(20)10-4-11(15)6-12(16)5-10/h4-7H,2-3,8H2,1H3
InChIKeyMMBBEDMWVMXBEN-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.13
Rot. Bonds1

About (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

(3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 154860869) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID154860869
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name(3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCc1cn2c(n1)CN(C(=O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C14H13F2N3O/c1-9-7-18-2-3-19(8-13(18)17-9)14(20)10-4-11(15)6-12(16)5-10/h4-7H,2-3,8H2,1H3
InChIKeyMMBBEDMWVMXBEN-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 154860869) is (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is Cc1cn2c(n1)CN(C(=O)c1cc(F)cc(F)c1)CC2.
What is the InChIKey of (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is MMBBEDMWVMXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-9-7-18-2-3-19(8-13(18)17-9)14(20)10-4-11(15)6-12(16)5-10/h4-7H,2-3,8H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
(3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 277.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 154860869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).