7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one

C24H25N5O3S — CID 136930802

IUPAC7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)[nH]c(CCCC(=O)N3CCC(c4nnc(-c5ccccc5)o4)CC3)nc12
InChIInChI=1S/C24H25N5O3S/c1-15-14-33-21-20(15)25-18(26-22(21)31)8-5-9-19(30)29-12-10-17(11-13-29)24-28-27-23(32-24)16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,25,26,31)
InChIKeyLUAFXTNRCUIQEC-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.07
Rot. Bonds6

About 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one

7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136930802) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136930802
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)[nH]c(CCCC(=O)N3CCC(c4nnc(-c5ccccc5)o4)CC3)nc12
InChIInChI=1S/C24H25N5O3S/c1-15-14-33-21-20(15)25-18(26-22(21)31)8-5-9-19(30)29-12-10-17(11-13-29)24-28-27-23(32-24)16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,25,26,31)
InChIKeyLUAFXTNRCUIQEC-UHFFFAOYSA-N
XLogP4.07
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

6-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929598
2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136628963
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
CID 110612137
2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954094
1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963272
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963379
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
2-methoxy-1-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 51137734
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793008
2-[4-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 90543234
4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 90539912
1-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55891565

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136930802) is 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)[nH]c(CCCC(=O)N3CCC(c4nnc(-c5ccccc5)o4)CC3)nc12.
What is the InChIKey of 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LUAFXTNRCUIQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-15-14-33-21-20(15)25-18(26-22(21)31)8-5-9-19(30)29-12-10-17(11-13-29)24-28-27-23(32-24)16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,25,26,31).
What are the key properties of 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one?
7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 463.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136930802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).