[5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone

C18H19FN4O2S — CID 123180258

IUPAC[5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1csc(C2CN=NC2)c1)N1CCC(O)(c2ncccc2F)CC1
InChIInChI=1S/C18H19FN4O2S/c19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13/h1-2,5,8,11,13,25H,3-4,6-7,9-10H2
InChIKeyYCLRJMBUHPXKHW-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.96
Rot. Bonds3

About [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone

[5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 123180258) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID123180258
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name[5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1csc(C2CN=NC2)c1)N1CCC(O)(c2ncccc2F)CC1
InChIInChI=1S/C18H19FN4O2S/c19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13/h1-2,5,8,11,13,25H,3-4,6-7,9-10H2
InChIKeyYCLRJMBUHPXKHW-UHFFFAOYSA-N
XLogP2.96
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-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 [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone (CID 123180258) is [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1csc(C2CN=NC2)c1)N1CCC(O)(c2ncccc2F)CC1.
What is the InChIKey of [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is YCLRJMBUHPXKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13/h1-2,5,8,11,13,25H,3-4,6-7,9-10H2.
What are the key properties of [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
[5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 123180258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).