N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide

C17H17FN4O3S — CID 7423999

IUPACN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C(=O)N1CCOCC1
InChIInChI=1S/C17H17FN4O3S/c18-11-1-3-12(4-2-11)22-15(13-9-26-10-14(13)20-22)19-16(23)17(24)21-5-7-25-8-6-21/h1-4H,5-10H2,(H,19,23)
InChIKeyXEWMBBDHWOMZLZ-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.56
Rot. Bonds2

About N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 7423999) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID7423999
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C(=O)N1CCOCC1
InChIInChI=1S/C17H17FN4O3S/c18-11-1-3-12(4-2-11)22-15(13-9-26-10-14(13)20-22)19-16(23)17(24)21-5-7-25-8-6-21/h1-4H,5-10H2,(H,19,23)
InChIKeyXEWMBBDHWOMZLZ-UHFFFAOYSA-N
XLogP1.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide (CID 7423999) is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide is O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is XEWMBBDHWOMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c18-11-1-3-12(4-2-11)22-15(13-9-26-10-14(13)20-22)19-16(23)17(24)21-5-7-25-8-6-21/h1-4H,5-10H2,(H,19,23).
What are the key properties of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 376.41 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 7423999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).