7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C24H23N3O6S — CID 146521808

IUPAC7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(COC[C@H]2OC(c3csc4c(=O)[nH]c(-c5ccccn5)nc34)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C24H23N3O6S/c1-31-14-7-5-13(6-8-14)10-32-11-17-19(28)20(29)21(33-17)15-12-34-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16/h2-9,12,17,19-21,28-29H,10-11H2,1H3,(H,26,27,30)/t17-,19-,20-,21?/m1/s1
InChIKeyFNSVZBHOGWBAKG-VUHOJNHNSA-N
MW481.53 g/mol
LogP2.43
Rot. Bonds7

About 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 146521808) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID146521808
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(COC[C@H]2OC(c3csc4c(=O)[nH]c(-c5ccccn5)nc34)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C24H23N3O6S/c1-31-14-7-5-13(6-8-14)10-32-11-17-19(28)20(29)21(33-17)15-12-34-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16/h2-9,12,17,19-21,28-29H,10-11H2,1H3,(H,26,27,30)/t17-,19-,20-,21?/m1/s1
InChIKeyFNSVZBHOGWBAKG-VUHOJNHNSA-N
XLogP2.43
TPSA126.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 146521808) is 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(COC[C@H]2OC(c3csc4c(=O)[nH]c(-c5ccccn5)nc34)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FNSVZBHOGWBAKG-VUHOJNHNSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-31-14-7-5-13(6-8-14)10-32-11-17-19(28)20(29)21(33-17)15-12-34-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16/h2-9,12,17,19-21,28-29H,10-11H2,1H3,(H,26,27,30)/t17-,19-,20-,21?/m1/s1.
What are the key properties of 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 481.53 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4S,5R)-3,4-dihydroxy-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146521808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).