6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one

C23H24N6O2S — CID 3232597

IUPAC6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C23H24N6O2S/c1-27-9-11-28(12-10-27)23-24-14-19-21(26-23)29(15-18-4-3-13-32-18)22(30)20(25-19)16-5-7-17(31-2)8-6-16/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeySNLMTJVYLGLPNX-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.72
Rot. Bonds5

About 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one

6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3232597) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3232597
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C23H24N6O2S/c1-27-9-11-28(12-10-27)23-24-14-19-21(26-23)29(15-18-4-3-13-32-18)22(30)20(25-19)16-5-7-17(31-2)8-6-16/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeySNLMTJVYLGLPNX-UHFFFAOYSA-N
XLogP2.72
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Pyrido[2,3-d]pyrimidin-7-one deriv. 29
CID 5328642
2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)thiophene-3-carboxamide
CID 25094198
6-(4-Methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3234621
2-Methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232612
2-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
8-Cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one
CID 3232662
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3232765
2-(Ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
CID 3232773
8-(2-Methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
CID 3232783
2-Methoxy-6,8-bis(4-methoxyphenyl)pteridin-7-one
CID 3232827
6-Methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232833

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3232597) is 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(Cc3cccs3)c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is SNLMTJVYLGLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-27-9-11-28(12-10-27)23-24-14-19-21(26-23)29(15-18-4-3-13-32-18)22(30)20(25-19)16-5-7-17(31-2)8-6-16/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 448.55 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3232597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).