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

C20H22N4O2S — CID 91625183

IUPAC[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCc3sccc3C2)CC1
InChIInChI=1S/C20H22N4O2S/c25-20(17-12-16(21-22-17)18-2-1-10-26-18)23-7-3-15(4-8-23)24-9-5-19-14(13-24)6-11-27-19/h1-2,6,10-12,15H,3-5,7-9,13H2,(H,21,22)
InChIKeyLFWXTYNYDLQIGR-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.39
Rot. Bonds3

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

[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 91625183) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID91625183
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCc3sccc3C2)CC1
InChIInChI=1S/C20H22N4O2S/c25-20(17-12-16(21-22-17)18-2-1-10-26-18)23-7-3-15(4-8-23)24-9-5-19-14(13-24)6-11-27-19/h1-2,6,10-12,15H,3-5,7-9,13H2,(H,21,22)
InChIKeyLFWXTYNYDLQIGR-UHFFFAOYSA-N
XLogP3.39
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone 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 [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 91625183) is [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCc3sccc3C2)CC1.
What is the InChIKey of [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is LFWXTYNYDLQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-20(17-12-16(21-22-17)18-2-1-10-26-18)23-7-3-15(4-8-23)24-9-5-19-14(13-24)6-11-27-19/h1-2,6,10-12,15H,3-5,7-9,13H2,(H,21,22).
What are the key properties of [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 91625183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).