N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide

C22H24FN5O4 — CID 166148072

IUPACN-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)Cn1cc(NC(=O)CCOc2ccccn2)cn1
InChIInChI=1S/C22H24FN5O4/c1-27(11-13-31-19-7-5-17(23)6-8-19)22(30)16-28-15-18(14-25-28)26-20(29)9-12-32-21-4-2-3-10-24-21/h2-8,10,14-15H,9,11-13,16H2,1H3,(H,26,29)
InChIKeyZXBGOIBILPDGCB-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.36
Rot. Bonds11

About N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide

N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide (PubChem CID 166148072) has the molecular formula C22H24FN5O4 and a molecular weight of 441.46 g/mol. Its IUPAC name is N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide.

Molecular Properties

Compound NameN-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide
PubChem CID166148072
Molecular FormulaC22H24FN5O4
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC NameN-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)Cn1cc(NC(=O)CCOc2ccccn2)cn1
InChIInChI=1S/C22H24FN5O4/c1-27(11-13-31-19-7-5-17(23)6-8-19)22(30)16-28-15-18(14-25-28)26-20(29)9-12-32-21-4-2-3-10-24-21/h2-8,10,14-15H,9,11-13,16H2,1H3,(H,26,29)
InChIKeyZXBGOIBILPDGCB-UHFFFAOYSA-N
XLogP2.36
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide?
The IUPAC name of N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide (CID 166148072) is N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide.
What is the SMILES notation for N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide?
The canonical SMILES for N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide is CN(CCOc1ccc(F)cc1)C(=O)Cn1cc(NC(=O)CCOc2ccccn2)cn1.
What is the InChIKey of N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide?
The InChIKey is ZXBGOIBILPDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4/c1-27(11-13-31-19-7-5-17(23)6-8-19)22(30)16-28-15-18(14-25-28)26-20(29)9-12-32-21-4-2-3-10-24-21/h2-8,10,14-15H,9,11-13,16H2,1H3,(H,26,29).
What are the key properties of N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide?
N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide has a molecular weight of 441.46 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide is sourced from PubChem (CID 166148072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).