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

C25H34N6O4S2 — CID 122427979

IUPACN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CCN4CCCCC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C25H34N6O4S2/c1-17-19(7-10-30-8-5-4-6-9-30)22-23(36-17)21(27-25(28-22)31-11-13-35-14-12-31)18-15-20(29-37(3,32)33)24(34-2)26-16-18/h15-16,29H,4-14H2,1-3H3
InChIKeyVAGFXUJLTRFBKG-UHFFFAOYSA-N
MW546.72 g/mol
LogP3.31
Rot. Bonds8

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

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122427979) has the molecular formula C25H34N6O4S2 and a molecular weight of 546.72 g/mol. Its IUPAC name is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122427979
Molecular FormulaC25H34N6O4S2
Molecular Weight546.72 g/mol
Exact Mass546.21
IUPAC NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CCN4CCCCC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C25H34N6O4S2/c1-17-19(7-10-30-8-5-4-6-9-30)22-23(36-17)21(27-25(28-22)31-11-13-35-14-12-31)18-15-20(29-37(3,32)33)24(34-2)26-16-18/h15-16,29H,4-14H2,1-3H3
InChIKeyVAGFXUJLTRFBKG-UHFFFAOYSA-N
XLogP3.31
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 122427979) is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CCN4CCCCC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is VAGFXUJLTRFBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4S2/c1-17-19(7-10-30-8-5-4-6-9-30)22-23(36-17)21(27-25(28-22)31-11-13-35-14-12-31)18-15-20(29-37(3,32)33)24(34-2)26-16-18/h15-16,29H,4-14H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 546.72 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122427979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).