1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one

C24H24N4O4S — CID 118175275

IUPAC1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccsc1-c1ncccn1
InChIInChI=1S/C24H24N4O4S/c1-14-5-6-15(31-21-18-17(7-11-27-21)24(2,3)32-23(18)30)13-28(14)22(29)16-8-12-33-19(16)20-25-9-4-10-26-20/h4,7-12,14-15H,5-6,13H2,1-3H3/t14-,15-/m1/s1
InChIKeyXEDDWCANFOZZHV-HUUCEWRRSA-N
MW464.55 g/mol
LogP4.08
Rot. Bonds4

About 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one

1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one (PubChem CID 118175275) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one
PubChem CID118175275
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccsc1-c1ncccn1
InChIInChI=1S/C24H24N4O4S/c1-14-5-6-15(31-21-18-17(7-11-27-21)24(2,3)32-23(18)30)13-28(14)22(29)16-8-12-33-19(16)20-25-9-4-10-26-20/h4,7-12,14-15H,5-6,13H2,1-3H3/t14-,15-/m1/s1
InChIKeyXEDDWCANFOZZHV-HUUCEWRRSA-N
XLogP4.08
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one?
The IUPAC name of 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one (CID 118175275) is 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one?
The canonical SMILES for 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one is C[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccsc1-c1ncccn1.
What is the InChIKey of 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one?
The InChIKey is XEDDWCANFOZZHV-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-14-5-6-15(31-21-18-17(7-11-27-21)24(2,3)32-23(18)30)13-28(14)22(29)16-8-12-33-19(16)20-25-9-4-10-26-20/h4,7-12,14-15H,5-6,13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one?
1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one has a molecular weight of 464.55 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxyfuro[3,4-c]pyridin-3-one is sourced from PubChem (CID 118175275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).