4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C26H32N4O2S — CID 42870625

IUPAC4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1CN(Cc1sccc1C)CC2
InChIInChI=1S/C26H32N4O2S/c1-18-8-13-30(14-9-18)26-27-21-10-12-29(17-24-19(2)11-15-33-24)16-20(21)25(28-26)32-23-7-5-4-6-22(23)31-3/h4-7,11,15,18H,8-10,12-14,16-17H2,1-3H3
InChIKeyHYSXOLRYXOQBCC-UHFFFAOYSA-N
MW464.64 g/mol
LogP5.44
Rot. Bonds6

About 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 42870625) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID42870625
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1CN(Cc1sccc1C)CC2
InChIInChI=1S/C26H32N4O2S/c1-18-8-13-30(14-9-18)26-27-21-10-12-29(17-24-19(2)11-15-33-24)16-20(21)25(28-26)32-23-7-5-4-6-22(23)31-3/h4-7,11,15,18H,8-10,12-14,16-17H2,1-3H3
InChIKeyHYSXOLRYXOQBCC-UHFFFAOYSA-N
XLogP5.44
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.64
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83283666
4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072171
2-[[4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-6-methoxyphenol
CID 46072530
4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83285555
1-[4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 46073635
(2R)-1-[4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 93002005
4-(2-methoxyphenoxy)-6-[(4-nitrophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072280
6-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960662
6-[(3-methylthiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960927
[4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 46073236
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
6-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-difluorophenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42870693

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 42870625) is 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1CN(Cc1sccc1C)CC2.
What is the InChIKey of 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HYSXOLRYXOQBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-18-8-13-30(14-9-18)26-27-21-10-12-29(17-24-19(2)11-15-33-24)16-20(21)25(28-26)32-23-7-5-4-6-22(23)31-3/h4-7,11,15,18H,8-10,12-14,16-17H2,1-3H3.
What are the key properties of 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 464.64 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 42870625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).