1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

C32H31N5O6S — CID 137451792

IUPAC1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C(Cn1c(=O)n(-c2c(C)ccn3ccnc23)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
InChIInChI=1S/C32H31N5O6S/c1-19-8-13-35-14-11-33-28(35)26(19)37-30(38)25-20(2)27(29-34-12-17-42-29)44-31(25)36(32(37)39)18-24(43-21-9-15-41-16-10-21)22-6-4-5-7-23(22)40-3/h4-8,11-14,17,21,24H,9-10,15-16,18H2,1-3H3
InChIKeyNLDFFJYNOBHHFR-UHFFFAOYSA-N
MW613.70 g/mol
LogP5.08
Rot. Bonds8

About 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 137451792) has the molecular formula C32H31N5O6S and a molecular weight of 613.70 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID137451792
Molecular FormulaC32H31N5O6S
Molecular Weight613.70 g/mol
Exact Mass613.20
IUPAC Name1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C(Cn1c(=O)n(-c2c(C)ccn3ccnc23)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
InChIInChI=1S/C32H31N5O6S/c1-19-8-13-35-14-11-33-28(35)26(19)37-30(38)25-20(2)27(29-34-12-17-42-29)44-31(25)36(32(37)39)18-24(43-21-9-15-41-16-10-21)22-6-4-5-7-23(22)40-3/h4-8,11-14,17,21,24H,9-10,15-16,18H2,1-3H3
InChIKeyNLDFFJYNOBHHFR-UHFFFAOYSA-N
XLogP5.08
TPSA115.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500613.70
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 137451792) is 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is COc1ccccc1C(Cn1c(=O)n(-c2c(C)ccn3ccnc23)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NLDFFJYNOBHHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O6S/c1-19-8-13-35-14-11-33-28(35)26(19)37-30(38)25-20(2)27(29-34-12-17-42-29)44-31(25)36(32(37)39)18-24(43-21-9-15-41-16-10-21)22-6-4-5-7-23(22)40-3/h4-8,11-14,17,21,24H,9-10,15-16,18H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 613.70 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 137451792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).