3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide

C21H24FN5O2 — CID 87265785

IUPAC3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide
SMILESCN(C)CC(C(N)=O)c1ccc(-c2cc(-c3cccc(OCCF)c3)[nH]n2)cn1
InChIInChI=1S/C21H24FN5O2/c1-27(2)13-17(21(23)28)18-7-6-15(12-24-18)20-11-19(25-26-20)14-4-3-5-16(10-14)29-9-8-22/h3-7,10-12,17H,8-9,13H2,1-2H3,(H2,23,28)(H,25,26)
InChIKeyAZJZVQMGBZHTSC-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.62
Rot. Bonds9

About 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide

3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide (PubChem CID 87265785) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide
PubChem CID87265785
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide
SMILESCN(C)CC(C(N)=O)c1ccc(-c2cc(-c3cccc(OCCF)c3)[nH]n2)cn1
InChIInChI=1S/C21H24FN5O2/c1-27(2)13-17(21(23)28)18-7-6-15(12-24-18)20-11-19(25-26-20)14-4-3-5-16(10-14)29-9-8-22/h3-7,10-12,17H,8-9,13H2,1-2H3,(H2,23,28)(H,25,26)
InChIKeyAZJZVQMGBZHTSC-UHFFFAOYSA-N
XLogP2.62
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide?
The IUPAC name of 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide (CID 87265785) is 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide is CN(C)CC(C(N)=O)c1ccc(-c2cc(-c3cccc(OCCF)c3)[nH]n2)cn1.
What is the InChIKey of 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide?
The InChIKey is AZJZVQMGBZHTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-27(2)13-17(21(23)28)18-7-6-15(12-24-18)20-11-19(25-26-20)14-4-3-5-16(10-14)29-9-8-22/h3-7,10-12,17H,8-9,13H2,1-2H3,(H2,23,28)(H,25,26).
What are the key properties of 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide?
3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide has a molecular weight of 397.45 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 87265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).