N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide

C26H25FN4O2 — CID 90465363

IUPACN-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
SMILESCCn1cc(-c2ccnc(CCCNC(=O)c3ccccc3O)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H25FN4O2/c1-2-31-17-23(25(30-31)18-9-11-20(27)12-10-18)19-13-15-28-21(16-19)6-5-14-29-26(33)22-7-3-4-8-24(22)32/h3-4,7-13,15-17,32H,2,5-6,14H2,1H3,(H,29,33)
InChIKeyDPQCFIFJPDYBOX-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.84
Rot. Bonds8

About N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide

N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide (PubChem CID 90465363) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
PubChem CID90465363
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
SMILESCCn1cc(-c2ccnc(CCCNC(=O)c3ccccc3O)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H25FN4O2/c1-2-31-17-23(25(30-31)18-9-11-20(27)12-10-18)19-13-15-28-21(16-19)6-5-14-29-26(33)22-7-3-4-8-24(22)32/h3-4,7-13,15-17,32H,2,5-6,14H2,1H3,(H,29,33)
InChIKeyDPQCFIFJPDYBOX-UHFFFAOYSA-N
XLogP4.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[3-(4-fluorophenyl)-1-propylpyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
CID 90465241
N-[3-[4-[3-(4-fluorophenyl)-1-[1-(2-fluorophenyl)ethyl]pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
CID 90465403
N-[3-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
CID 90465345
N-[3-[4-[3-(3-cyano-4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
CID 90465099
3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 90465355
N-[3-[4-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
CID 67106312
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465171
N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide
CID 131952895
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
CID 73293375
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide
CID 110245210

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide (CID 90465363) is N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide is CCn1cc(-c2ccnc(CCCNC(=O)c3ccccc3O)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide?
The InChIKey is DPQCFIFJPDYBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-2-31-17-23(25(30-31)18-9-11-20(27)12-10-18)19-13-15-28-21(16-19)6-5-14-29-26(33)22-7-3-4-8-24(22)32/h3-4,7-13,15-17,32H,2,5-6,14H2,1H3,(H,29,33).
What are the key properties of N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide?
N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide has a molecular weight of 444.51 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide is sourced from PubChem (CID 90465363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).