5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione

C24H19F5N4O3S — CID 138610507

About 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione

5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 138610507) has the molecular formula C24H19F5N4O3S and a molecular weight of 538.50 g/mol. Its IUPAC name is 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 138610507
• Molecular Formula: C24H19F5N4O3S
• Molecular Weight: 538.50 g/mol
• Exact Mass: 538.11
• IUPAC Name: 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione
• SMILES: Cc1cc(C(F)(F)F)cc(-c2ccnc3cc(Cn4c(=O)[nH]cc(F)c4=O)sc23)c1O[C@@H]1CNC[C@@H]1F
• InChI: InChI=1S/C24H19F5N4O3S/c1-11-4-12(24(27,28)29)5-15(20(11)36-19-9-30-7-16(19)25)14-2-3-31-18-6-13(37-21(14)18)10-33-22(34)17(26)8-32-23(33)35/h2-6,8,16,19,30H,7,9-10H2,1H3,(H,32,35)/t16-,19+/m0/s1
• InChIKey: RHPZMXVDDMBUOM-QFBILLFUSA-N
• XLogP: 4.02
• TPSA: 89.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.50
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione (CID 138610507) is 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione is Cc1cc(C(F)(F)F)cc(-c2ccnc3cc(Cn4c(=O)[nH]cc(F)c4=O)sc23)c1O[C@@H]1CNC[C@@H]1F.

What is the InChIKey of 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione?

The InChIKey is RHPZMXVDDMBUOM-QFBILLFUSA-N. The full InChI is InChI=1S/C24H19F5N4O3S/c1-11-4-12(24(27,28)29)5-15(20(11)36-19-9-30-7-16(19)25)14-2-3-31-18-6-13(37-21(14)18)10-33-22(34)17(26)8-32-23(33)35/h2-6,8,16,19,30H,7,9-10H2,1H3,(H,32,35)/t16-,19+/m0/s1.

What are the key properties of 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione?

5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 538.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 138610507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).