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

C17H20N4OS — CID 56812849

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ncccn2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C17H20N4OS/c22-16(21-10-4-15-14(12-21)5-11-23-15)13-2-8-20(9-3-13)17-18-6-1-7-19-17/h1,5-7,11,13H,2-4,8-10,12H2
InChIKeyVMKRZTDUDKNHAK-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.34
Rot. Bonds2

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

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (PubChem CID 56812849) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
PubChem CID56812849
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ncccn2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C17H20N4OS/c22-16(21-10-4-15-14(12-21)5-11-23-15)13-2-8-20(9-3-13)17-18-6-1-7-19-17/h1,5-7,11,13H,2-4,8-10,12H2
InChIKeyVMKRZTDUDKNHAK-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.34
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-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 171993509
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone
CID 171997323
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone
CID 171995878
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 171995342
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 154564256
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
CID 172892577
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
CID 110090146
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (CID 56812849) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ncccn2)CC1)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The InChIKey is VMKRZTDUDKNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-16(21-10-4-15-14(12-21)5-11-23-15)13-2-8-20(9-3-13)17-18-6-1-7-19-17/h1,5-7,11,13H,2-4,8-10,12H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone has a molecular weight of 328.44 g/mol, XLogP of 2.34, 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-pyrimidin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 56812849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).