6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

C23H24N6OS — CID 3233446

IUPAC6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1
InChIInChI=1S/C23H24N6OS/c30-22-19(9-8-17-5-2-1-3-6-17)26-20-15-25-23(28-12-10-24-11-13-28)27-21(20)29(22)16-18-7-4-14-31-18/h1-7,14-15,24H,8-13,16H2
InChIKeyNNPIIUSCCIWRAP-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.49
Rot. Bonds6

About 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233446) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233446
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1
InChIInChI=1S/C23H24N6OS/c30-22-19(9-8-17-5-2-1-3-6-17)26-20-15-25-23(28-12-10-24-11-13-28)27-21(20)29(22)16-18-7-4-14-31-18/h1-7,14-15,24H,8-13,16H2
InChIKeyNNPIIUSCCIWRAP-UHFFFAOYSA-N
XLogP2.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233446) is 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1.
What is the InChIKey of 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is NNPIIUSCCIWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c30-22-19(9-8-17-5-2-1-3-6-17)26-20-15-25-23(28-12-10-24-11-13-28)27-21(20)29(22)16-18-7-4-14-31-18/h1-7,14-15,24H,8-13,16H2.
What are the key properties of 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 432.55 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).