3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C30H30ClF3N4O4S — CID 138610305

About 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 138610305) has the molecular formula C30H30ClF3N4O4S and a molecular weight of 635.11 g/mol. Its IUPAC name is 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
• PubChem CID: 138610305
• Molecular Formula: C30H30ClF3N4O4S
• Molecular Weight: 635.11 g/mol
• Exact Mass: 634.16
• IUPAC Name: 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
• SMILES: Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(C)(N2CCOCC2)C1
• InChI: InChI=1S/C30H30ClF3N4O4S/c1-18-11-19(31)12-23(26(18)42-20-14-29(2,15-20)37-7-9-41-10-8-37)22-3-5-35-24-13-21(43-27(22)24)16-38-25(39)4-6-36(28(38)40)17-30(32,33)34/h3-6,11-13,20H,7-10,14-17H2,1-2H3
• InChIKey: FVPOCDPFNOIIEF-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 78.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.11
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The IUPAC name of 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 138610305) is 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

What is the SMILES notation for 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The canonical SMILES for 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CC(C)(N2CCOCC2)C1.

What is the InChIKey of 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The InChIKey is FVPOCDPFNOIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClF3N4O4S/c1-18-11-19(31)12-23(26(18)42-20-14-29(2,15-20)37-7-9-41-10-8-37)22-3-5-35-24-13-21(43-27(22)24)16-38-25(39)4-6-36(28(38)40)17-30(32,33)34/h3-6,11-13,20H,7-10,14-17H2,1-2H3.

What are the key properties of 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 635.11 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[7-[5-chloro-3-methyl-2-(3-methyl-3-morpholin-4-ylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 138610305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).