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

C19H24N4O2S — CID 171994230

IUPAC6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)cc1=O
InChIInChI=1S/C19H24N4O2S/c1-21-13-20-17(11-18(21)24)22-6-2-14(3-7-22)10-19(25)23-8-4-16-15(12-23)5-9-26-16/h5,9,11,13-14H,2-4,6-8,10,12H2,1H3
InChIKeyWNNLBFAGGGMUFF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.03
Rot. Bonds3

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

6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one (PubChem CID 171994230) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
PubChem CID171994230
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)cc1=O
InChIInChI=1S/C19H24N4O2S/c1-21-13-20-17(11-18(21)24)22-6-2-14(3-7-22)10-19(25)23-8-4-16-15(12-23)5-9-26-16/h5,9,11,13-14H,2-4,6-8,10,12H2,1H3
InChIKeyWNNLBFAGGGMUFF-UHFFFAOYSA-N
XLogP2.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one (CID 171994230) is 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one is Cn1cnc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)cc1=O.
What is the InChIKey of 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
The InChIKey is WNNLBFAGGGMUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-21-13-20-17(11-18(21)24)22-6-2-14(3-7-22)10-19(25)23-8-4-16-15(12-23)5-9-26-16/h5,9,11,13-14H,2-4,6-8,10,12H2,1H3.
What are the key properties of 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one has a molecular weight of 372.49 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 171994230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).