N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C26H30N6O4S3 — CID 122428489

About N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428489) has the molecular formula C26H30N6O4S3 and a molecular weight of 586.77 g/mol. Its IUPAC name is N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• PubChem CID: 122428489
• Molecular Formula: C26H30N6O4S3
• Molecular Weight: 586.77 g/mol
• Exact Mass: 586.15
• IUPAC Name: N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• SMILES: COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCc5sccc5C4)c(C)sc23)cc1NS(C)(=O)=O
• InChI: InChI=1S/C26H30N6O4S3/c1-16-19(15-31-6-4-21-17(14-31)5-11-37-21)23-24(38-16)22(28-26(29-23)32-7-9-36-10-8-32)18-12-20(30-39(3,33)34)25(35-2)27-13-18/h5,11-13,30H,4,6-10,14-15H2,1-3H3
• InChIKey: NCTVHYYNAJZGGS-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 109.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.77
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428489) is N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCc5sccc5C4)c(C)sc23)cc1NS(C)(=O)=O.

What is the InChIKey of N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The InChIKey is NCTVHYYNAJZGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S3/c1-16-19(15-31-6-4-21-17(14-31)5-11-37-21)23-24(38-16)22(28-26(29-23)32-7-9-36-10-8-32)18-12-20(30-39(3,33)34)25(35-2)27-13-18/h5,11-13,30H,4,6-10,14-15H2,1-3H3.

What are the key properties of N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 586.77 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).