7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine

C24H31FN4OS — CID 175820651

About 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine

7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine (PubChem CID 175820651) has the molecular formula C24H31FN4OS and a molecular weight of 442.60 g/mol. Its IUPAC name is 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine
• PubChem CID: 175820651
• Molecular Formula: C24H31FN4OS
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.22
• IUPAC Name: 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine
• SMILES: CCOC[C@]1(CCc2sc(F)c3nccnc23)CCN(C(C)(C)c2ccc(C)nc2)C1
• InChI: InChI=1S/C24H31FN4OS/c1-5-30-16-24(9-8-19-20-21(22(25)31-19)27-12-11-26-20)10-13-29(15-24)23(3,4)18-7-6-17(2)28-14-18/h6-7,11-12,14H,5,8-10,13,15-16H2,1-4H3/t24-/m1/s1
• InChIKey: YXGFYWMZLQWIGT-XMMPIXPASA-N
• XLogP: 5.13
• TPSA: 51.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine?

The IUPAC name of 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine (CID 175820651) is 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine.

What is the SMILES notation for 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine?

The canonical SMILES for 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine is CCOC[C@]1(CCc2sc(F)c3nccnc23)CCN(C(C)(C)c2ccc(C)nc2)C1.

What is the InChIKey of 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine?

The InChIKey is YXGFYWMZLQWIGT-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31FN4OS/c1-5-30-16-24(9-8-19-20-21(22(25)31-19)27-12-11-26-20)10-13-29(15-24)23(3,4)18-7-6-17(2)28-14-18/h6-7,11-12,14H,5,8-10,13,15-16H2,1-4H3/t24-/m1/s1.

What are the key properties of 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine?

7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine has a molecular weight of 442.60 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine is sourced from PubChem (CID 175820651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).