N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C26H35N7O4S2 — CID 122428441

About N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428441) has the molecular formula C26H35N7O4S2 and a molecular weight of 573.75 g/mol. Its IUPAC name is N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-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-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• PubChem CID: 122428441
• Molecular Formula: C26H35N7O4S2
• Molecular Weight: 573.75 g/mol
• Exact Mass: 573.22
• IUPAC Name: N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• SMILES: COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC5(CC4)CNC5)c(C)sc23)cc1NS(C)(=O)=O
• InChI: InChI=1S/C26H35N7O4S2/c1-17-19(14-32-6-4-26(5-7-32)15-27-16-26)22-23(38-17)21(29-25(30-22)33-8-10-37-11-9-33)18-12-20(31-39(3,34)35)24(36-2)28-13-18/h12-13,27,31H,4-11,14-16H2,1-3H3
• InChIKey: PXYODQCWMPHAFA-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 121.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.75
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-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-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428441) is N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-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-(2,7-diazaspiro[3.5]nonan-7-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-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC5(CC4)CNC5)c(C)sc23)cc1NS(C)(=O)=O.

What is the InChIKey of N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The InChIKey is PXYODQCWMPHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O4S2/c1-17-19(14-32-6-4-26(5-7-32)15-27-16-26)22-23(38-17)21(29-25(30-22)33-8-10-37-11-9-33)18-12-20(31-39(3,34)35)24(36-2)28-13-18/h12-13,27,31H,4-11,14-16H2,1-3H3.

What are the key properties of N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 573.75 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).