4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one

C19H23FN4O — CID 56866232

IUPAC4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(c2cnccn2)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN4O/c1-14(2)17-13-23(18-11-21-8-9-22-18)10-7-19(25)24(17)12-15-3-5-16(20)6-4-15/h3-6,8-9,11,14,17H,7,10,12-13H2,1-2H3
InChIKeyRVLLDSJFLODZSP-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.88
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one

4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one (PubChem CID 56866232) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one
PubChem CID56866232
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(c2cnccn2)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN4O/c1-14(2)17-13-23(18-11-21-8-9-22-18)10-7-19(25)24(17)12-15-3-5-16(20)6-4-15/h3-6,8-9,11,14,17H,7,10,12-13H2,1-2H3
InChIKeyRVLLDSJFLODZSP-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one (CID 56866232) is 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one is CC(C)C1CN(c2cnccn2)CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one?
The InChIKey is RVLLDSJFLODZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14(2)17-13-23(18-11-21-8-9-22-18)10-7-19(25)24(17)12-15-3-5-16(20)6-4-15/h3-6,8-9,11,14,17H,7,10,12-13H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one?
4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one has a molecular weight of 342.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1-pyrazin-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56866232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).