6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione

C25H20ClFN4O5S2 — CID 171903197

About 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione

6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 171903197) has the molecular formula C25H20ClFN4O5S2 and a molecular weight of 575.04 g/mol. Its IUPAC name is 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
• PubChem CID: 171903197
• Molecular Formula: C25H20ClFN4O5S2
• Molecular Weight: 575.04 g/mol
• Exact Mass: 574.05
• IUPAC Name: 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
• SMILES: COc1cc(C2=CC3NC(=O)N(c4cncc5cc(C(=O)N6CCOCC6)sc45)C(=O)C3S2)c(Cl)cc1F
• InChI: InChI=1S/C25H20ClFN4O5S2/c1-35-18-7-13(14(26)8-15(18)27)19-9-16-22(37-19)24(33)31(25(34)29-16)17-11-28-10-12-6-20(38-21(12)17)23(32)30-2-4-36-5-3-30/h6-11,16,22H,2-5H2,1H3,(H,29,34)
• InChIKey: FGZQCKDFNPRXAE-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 101.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.04
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?

The IUPAC name of 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 171903197) is 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione.

What is the SMILES notation for 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?

The canonical SMILES for 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione is COc1cc(C2=CC3NC(=O)N(c4cncc5cc(C(=O)N6CCOCC6)sc45)C(=O)C3S2)c(Cl)cc1F.

What is the InChIKey of 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?

The InChIKey is FGZQCKDFNPRXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O5S2/c1-35-18-7-13(14(26)8-15(18)27)19-9-16-22(37-19)24(33)31(25(34)29-16)17-11-28-10-12-6-20(38-21(12)17)23(32)30-2-4-36-5-3-30/h6-11,16,22H,2-5H2,1H3,(H,29,34).

What are the key properties of 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?

6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 575.04 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-[2-(morpholine-4-carbonyl)thieno[3,2-c]pyridin-7-yl]-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 171903197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).