2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine

C23H22FN7O — CID 16820883

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3nccnc23)cc1
InChIInChI=1S/C23H22FN7O/c1-32-19-8-4-17(5-9-19)27-22-20-21(26-11-10-25-20)28-23(29-22)31-14-12-30(13-15-31)18-6-2-16(24)3-7-18/h2-11H,12-15H2,1H3,(H,26,27,28,29)
InChIKeyIPQQLOUZUYEXIE-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine (PubChem CID 16820883) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
PubChem CID16820883
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3nccnc23)cc1
InChIInChI=1S/C23H22FN7O/c1-32-19-8-4-17(5-9-19)27-22-20-21(26-11-10-25-20)28-23(29-22)31-14-12-30(13-15-31)18-6-2-16(24)3-7-18/h2-11H,12-15H2,1H3,(H,26,27,28,29)
InChIKeyIPQQLOUZUYEXIE-UHFFFAOYSA-N
XLogP3.64
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine (CID 16820883) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine is COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3nccnc23)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine?
The InChIKey is IPQQLOUZUYEXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-32-19-8-4-17(5-9-19)27-22-20-21(26-11-10-25-20)28-23(29-22)31-14-12-30(13-15-31)18-6-2-16(24)3-7-18/h2-11H,12-15H2,1H3,(H,26,27,28,29).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine has a molecular weight of 431.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine is sourced from PubChem (CID 16820883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).