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

C26H37N7O4S2 — CID 122427960

IUPACN-[5-[7-[[4-(dimethylamino)piperidin-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(N(C)C)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C26H37N7O4S2/c1-17-20(16-32-8-6-19(7-9-32)31(2)3)23-24(38-17)22(28-26(29-23)33-10-12-37-13-11-33)18-14-21(30-39(5,34)35)25(36-4)27-15-18/h14-15,19,30H,6-13,16H2,1-5H3
InChIKeyIILCJVMXNBQHFI-UHFFFAOYSA-N
MW575.76 g/mol
LogP2.80
Rot. Bonds8

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

N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122427960) has the molecular formula C26H37N7O4S2 and a molecular weight of 575.76 g/mol. Its IUPAC name is N-[5-[7-[[4-(dimethylamino)piperidin-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-(dimethylamino)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122427960
Molecular FormulaC26H37N7O4S2
Molecular Weight575.76 g/mol
Exact Mass575.23
IUPAC NameN-[5-[7-[[4-(dimethylamino)piperidin-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(N(C)C)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C26H37N7O4S2/c1-17-20(16-32-8-6-19(7-9-32)31(2)3)23-24(38-17)22(28-26(29-23)33-10-12-37-13-11-33)18-14-21(30-39(5,34)35)25(36-4)27-15-18/h14-15,19,30H,6-13,16H2,1-5H3
InChIKeyIILCJVMXNBQHFI-UHFFFAOYSA-N
XLogP2.80
TPSA113.02 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[5-[7-[[4-(dimethylamino)piperidin-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-(dimethylamino)piperidin-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-(dimethylamino)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122427960) is N-[5-[7-[[4-(dimethylamino)piperidin-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-(dimethylamino)piperidin-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-(dimethylamino)piperidin-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(N(C)C)CC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is IILCJVMXNBQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O4S2/c1-17-20(16-32-8-6-19(7-9-32)31(2)3)23-24(38-17)22(28-26(29-23)33-10-12-37-13-11-33)18-14-21(30-39(5,34)35)25(36-4)27-15-18/h14-15,19,30H,6-13,16H2,1-5H3.
What are the key properties of N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[[4-(dimethylamino)piperidin-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 575.76 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[[4-(dimethylamino)piperidin-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 122427960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).