3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione

C31H34N6O7S — CID 163199956

IUPAC3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C(CN1C(=O)N(C2CN(C(=O)c3ncc[nH]3)C2)C(=O)C2C(C)=C(c3ncco3)SC21)OC1CCOCC1
InChIInChI=1S/C31H34N6O7S/c1-18-24-28(38)37(19-15-35(16-19)29(39)26-32-9-10-33-26)31(40)36(30(24)45-25(18)27-34-11-14-43-27)17-23(44-20-7-12-42-13-8-20)21-5-3-4-6-22(21)41-2/h3-6,9-11,14,19-20,23-24,30H,7-8,12-13,15-17H2,1-2H3,(H,32,33)
InChIKeyCMVPOPNUAORFCU-UHFFFAOYSA-N
MW634.72 g/mol
LogP3.55
Rot. Bonds9

About 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione

3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 163199956) has the molecular formula C31H34N6O7S and a molecular weight of 634.72 g/mol. Its IUPAC name is 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione
PubChem CID163199956
Molecular FormulaC31H34N6O7S
Molecular Weight634.72 g/mol
Exact Mass634.22
IUPAC Name3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C(CN1C(=O)N(C2CN(C(=O)c3ncc[nH]3)C2)C(=O)C2C(C)=C(c3ncco3)SC21)OC1CCOCC1
InChIInChI=1S/C31H34N6O7S/c1-18-24-28(38)37(19-15-35(16-19)29(39)26-32-9-10-33-26)31(40)36(30(24)45-25(18)27-34-11-14-43-27)17-23(44-20-7-12-42-13-8-20)21-5-3-4-6-22(21)41-2/h3-6,9-11,14,19-20,23-24,30H,7-8,12-13,15-17H2,1-2H3,(H,32,33)
InChIKeyCMVPOPNUAORFCU-UHFFFAOYSA-N
XLogP3.55
TPSA143.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione (CID 163199956) is 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione is COc1ccccc1C(CN1C(=O)N(C2CN(C(=O)c3ncc[nH]3)C2)C(=O)C2C(C)=C(c3ncco3)SC21)OC1CCOCC1.
What is the InChIKey of 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CMVPOPNUAORFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O7S/c1-18-24-28(38)37(19-15-35(16-19)29(39)26-32-9-10-33-26)31(40)36(30(24)45-25(18)27-34-11-14-43-27)17-23(44-20-7-12-42-13-8-20)21-5-3-4-6-22(21)41-2/h3-6,9-11,14,19-20,23-24,30H,7-8,12-13,15-17H2,1-2H3,(H,32,33).
What are the key properties of 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione?
3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 634.72 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-imidazole-2-carbonyl)azetidin-3-yl]-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163199956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).