N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C26H36N6O4S2 — CID 122428031

IUPACN-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C)(C)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C26H36N6O4S2/c1-17-19(16-31-8-6-26(2,3)7-9-31)22-23(37-17)21(28-25(29-22)32-10-12-36-13-11-32)18-14-20(30-38(5,33)34)24(35-4)27-15-18/h14-15,30H,6-13,16H2,1-5H3
InChIKeyRUTQDTFHNISNHL-UHFFFAOYSA-N
MW560.75 g/mol
LogP3.90
Rot. Bonds7

About N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428031) has the molecular formula C26H36N6O4S2 and a molecular weight of 560.75 g/mol. Its IUPAC name is N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122428031
Molecular FormulaC26H36N6O4S2
Molecular Weight560.75 g/mol
Exact Mass560.22
IUPAC NameN-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C)(C)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C26H36N6O4S2/c1-17-19(16-31-8-6-26(2,3)7-9-31)22-23(37-17)21(28-25(29-22)32-10-12-36-13-11-32)18-14-20(30-38(5,33)34)24(35-4)27-15-18/h14-15,30H,6-13,16H2,1-5H3
InChIKeyRUTQDTFHNISNHL-UHFFFAOYSA-N
XLogP3.90
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428031) is N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-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-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C)(C)CC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is RUTQDTFHNISNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O4S2/c1-17-19(16-31-8-6-26(2,3)7-9-31)22-23(37-17)21(28-25(29-22)32-10-12-36-13-11-32)18-14-20(30-38(5,33)34)24(35-4)27-15-18/h14-15,30H,6-13,16H2,1-5H3.
What are the key properties of N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 560.75 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[(4,4-dimethylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).