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

C19H23FN4O — CID 97467579

IUPACN-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn2c(n1)CN(Cc1cccc(F)c1)CC2)C1CCC1
InChIInChI=1S/C19H23FN4O/c20-16-6-1-3-14(9-16)11-23-7-8-24-12-17(22-18(24)13-23)10-21-19(25)15-4-2-5-15/h1,3,6,9,12,15H,2,4-5,7-8,10-11,13H2,(H,21,25)
InChIKeyVBFIVHNEMUQEDT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.45
Rot. Bonds5

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

N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 97467579) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID97467579
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn2c(n1)CN(Cc1cccc(F)c1)CC2)C1CCC1
InChIInChI=1S/C19H23FN4O/c20-16-6-1-3-14(9-16)11-23-7-8-24-12-17(22-18(24)13-23)10-21-19(25)15-4-2-5-15/h1,3,6,9,12,15H,2,4-5,7-8,10-11,13H2,(H,21,25)
InChIKeyVBFIVHNEMUQEDT-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 97467579) is N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is O=C(NCc1cn2c(n1)CN(Cc1cccc(F)c1)CC2)C1CCC1.
What is the InChIKey of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is VBFIVHNEMUQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-16-6-1-3-14(9-16)11-23-7-8-24-12-17(22-18(24)13-23)10-21-19(25)15-4-2-5-15/h1,3,6,9,12,15H,2,4-5,7-8,10-11,13H2,(H,21,25).
What are the key properties of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 97467579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).