6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one

C28H29N3O5S — CID 71007305

IUPAC6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cc(-n2cnc3cc(-c4ccc(O)cc4)sc3c2=O)ccc1OCCN1CCC2(CC1)COC2
InChIInChI=1S/C28H29N3O5S/c1-34-24-14-20(4-7-23(24)36-13-12-30-10-8-28(9-11-30)16-35-17-28)31-18-29-22-15-25(37-26(22)27(31)33)19-2-5-21(32)6-3-19/h2-7,14-15,18,32H,8-13,16-17H2,1H3
InChIKeyVMDPKLHPZGUMMR-UHFFFAOYSA-N
MW519.62 g/mol
LogP4.32
Rot. Bonds7

About 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one

6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 71007305) has the molecular formula C28H29N3O5S and a molecular weight of 519.62 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID71007305
Molecular FormulaC28H29N3O5S
Molecular Weight519.62 g/mol
Exact Mass519.18
IUPAC Name6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cc(-n2cnc3cc(-c4ccc(O)cc4)sc3c2=O)ccc1OCCN1CCC2(CC1)COC2
InChIInChI=1S/C28H29N3O5S/c1-34-24-14-20(4-7-23(24)36-13-12-30-10-8-28(9-11-30)16-35-17-28)31-18-29-22-15-25(37-26(22)27(31)33)19-2-5-21(32)6-3-19/h2-7,14-15,18,32H,8-13,16-17H2,1H3
InChIKeyVMDPKLHPZGUMMR-UHFFFAOYSA-N
XLogP4.32
TPSA86.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(4-hydroxyphenyl)-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one
CID 123876762
6-bromo-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one;3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 162211527
3-[3-chloro-4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]phenyl]-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 70983515
3-[2-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]ethyl]-1,1-diethylurea
CID 16718744
6-(4-chlorophenyl)-3-[4-(3-ethyl-1-methylpyrrolidin-3-yl)oxy-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
CID 142235367
3-[4-[2-(4-chloro-N-methylanilino)ethoxy]-3-methoxyphenyl]-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 58980879
6-(4-chlorophenyl)-3-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
CID 69372914
N-[2-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]ethyl]-2-phenylacetamide
CID 16718745
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)phenyl]thieno[3,2-d]pyrimidin-4-one
CID 58980830
5-[6-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 58980842
6-(4-chlorophenyl)-3-[4-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
CID 58980790
3-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]-2-hydroxy-2-methylpropanoic acid
CID 71196669

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one (CID 71007305) is 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one is COc1cc(-n2cnc3cc(-c4ccc(O)cc4)sc3c2=O)ccc1OCCN1CCC2(CC1)COC2.
What is the InChIKey of 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VMDPKLHPZGUMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5S/c1-34-24-14-20(4-7-23(24)36-13-12-30-10-8-28(9-11-30)16-35-17-28)31-18-29-22-15-25(37-26(22)27(31)33)19-2-5-21(32)6-3-19/h2-7,14-15,18,32H,8-13,16-17H2,1H3.
What are the key properties of 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one?
6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 519.62 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-3-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 71007305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).