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

C24H25N5O3S — CID 123886360

IUPAC1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccsc1-c1ncccn1
InChIInChI=1S/C24H25N5O3S/c1-14-5-6-15(28-20-18-17(7-11-27-20)24(2,3)32-23(18)31)13-29(14)22(30)16-8-12-33-19(16)21-25-9-4-10-26-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,27,28)
InChIKeyCUKFNLYMAZFPLD-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.11
Rot. Bonds4

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

1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (PubChem CID 123886360) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
PubChem CID123886360
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccsc1-c1ncccn1
InChIInChI=1S/C24H25N5O3S/c1-14-5-6-15(28-20-18-17(7-11-27-20)24(2,3)32-23(18)31)13-29(14)22(30)16-8-12-33-19(16)21-25-9-4-10-26-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,27,28)
InChIKeyCUKFNLYMAZFPLD-UHFFFAOYSA-N
XLogP4.11
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
CID 2007903
US9556190, Example 25
CID 118175275
US9556190, Example 44
CID 118175282
US9556190, Example 43
CID 118175285
US9556190, Example 42
CID 118175286
US9556190, Example 37
CID 122651808
1-[5-(3-Methyl-1,2,4-oxadiazol-5-YL)pyridin-2-YL]-N-[1-(thiophen-2-YL)ethyl]piperidine-3-carboxamide
CID 71794409
1-Methylethyl 2-((3S)-3-{[(4,5-dimethyl-2-thienyl)methyl]amino}-1-pyrrolidinyl)-3-pyridinecarboxylate
CID 67324050
Ethyl 2-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 68623910
methyl 6-benzyl-2-[[2-[(1-benzylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 71495628
6-O-ethyl 3-O-methyl 2-[[2-[(1-benzylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 71495728
Methyl 2-[[2-[(1-benzylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 71495729

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The IUPAC name of 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (CID 123886360) is 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is CC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccsc1-c1ncccn1.
What is the InChIKey of 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The InChIKey is CUKFNLYMAZFPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-14-5-6-15(28-20-18-17(7-11-27-20)24(2,3)32-23(18)31)13-29(14)22(30)16-8-12-33-19(16)21-25-9-4-10-26-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,27,28).
What are the key properties of 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one has a molecular weight of 463.56 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-[[6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 123886360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).