8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one

C17H17FN6O — CID 3234216

IUPAC8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN6O/c18-13-3-1-12(2-4-13)11-24-15(25)10-20-14-9-21-17(22-16(14)24)23-7-5-19-6-8-23/h1-4,9-10,19H,5-8,11H2
InChIKeyCKVCAZSMAZFAHT-UHFFFAOYSA-N
MW340.36 g/mol
LogP0.78
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one

8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one (PubChem CID 3234216) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one
PubChem CID3234216
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN6O/c18-13-3-1-12(2-4-13)11-24-15(25)10-20-14-9-21-17(22-16(14)24)23-7-5-19-6-8-23/h1-4,9-10,19H,5-8,11H2
InChIKeyCKVCAZSMAZFAHT-UHFFFAOYSA-N
XLogP0.78
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one (CID 3234216) is 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one is O=c1cnc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one?
The InChIKey is CKVCAZSMAZFAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c18-13-3-1-12(2-4-13)11-24-15(25)10-20-14-9-21-17(22-16(14)24)23-7-5-19-6-8-23/h1-4,9-10,19H,5-8,11H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one has a molecular weight of 340.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3234216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).