3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine

C24H30N4OS — CID 139381613

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine (PubChem CID 139381613) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine
• PubChem CID: 139381613
• Molecular Formula: C24H30N4OS
• Molecular Weight: 422.60 g/mol
• Exact Mass: 422.21
• IUPAC Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine
• SMILES: CN1CCc2[nH]cc(CN3CCc4occ(CN5CCc6sccc6C5)c4C3)c2C1
• InChI: InChI=1S/C24H30N4OS/c1-26-6-2-22-20(14-26)18(10-25-22)12-28-7-3-23-21(15-28)19(16-29-23)13-27-8-4-24-17(11-27)5-9-30-24/h5,9-10,16,25H,2-4,6-8,11-15H2,1H3
• InChIKey: FLZREUZZJRZMAW-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 38.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.60
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine?

The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine (CID 139381613) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine.

What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine?

The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine is CN1CCc2[nH]cc(CN3CCc4occ(CN5CCc6sccc6C5)c4C3)c2C1.

What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine?

The InChIKey is FLZREUZZJRZMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-26-6-2-22-20(14-26)18(10-25-22)12-28-7-3-23-21(15-28)19(16-29-23)13-27-8-4-24-17(11-27)5-9-30-24/h5,9-10,16,25H,2-4,6-8,11-15H2,1H3.

What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine?

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine has a molecular weight of 422.60 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine is sourced from PubChem (CID 139381613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).