6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone

C19H24N4OS — CID 171993747

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCc1cc(C)nc(N2CCCC(C(=O)N3CCc4sccc4C3)C2)n1
InChIInChI=1S/C19H24N4OS/c1-13-10-14(2)21-19(20-13)23-7-3-4-16(12-23)18(24)22-8-5-17-15(11-22)6-9-25-17/h6,9-10,16H,3-5,7-8,11-12H2,1-2H3
InChIKeyIQMNVECHOZGHTL-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.96
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone (PubChem CID 171993747) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
PubChem CID171993747
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCc1cc(C)nc(N2CCCC(C(=O)N3CCc4sccc4C3)C2)n1
InChIInChI=1S/C19H24N4OS/c1-13-10-14(2)21-19(20-13)23-7-3-4-16(12-23)18(24)22-8-5-17-15(11-22)6-9-25-17/h6,9-10,16H,3-5,7-8,11-12H2,1-2H3
InChIKeyIQMNVECHOZGHTL-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 172899962
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 172892419
[(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 96558801
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71701318
5-bromo-2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171994872
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 45184262
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 95145172

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone (CID 171993747) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone is Cc1cc(C)nc(N2CCCC(C(=O)N3CCc4sccc4C3)C2)n1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone?
The InChIKey is IQMNVECHOZGHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13-10-14(2)21-19(20-13)23-7-3-4-16(12-23)18(24)22-8-5-17-15(11-22)6-9-25-17/h6,9-10,16H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone has a molecular weight of 356.50 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 171993747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).