N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide

C21H23F2N3O2 — CID 56961047

IUPACN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide
SMILESCC(C)(C)c1c(F)cc(OCCNC(=O)Cc2cnn3ccccc23)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-21(2,3)20-16(22)11-15(12-17(20)23)28-9-7-24-19(27)10-14-13-25-26-8-5-4-6-18(14)26/h4-6,8,11-13H,7,9-10H2,1-3H3,(H,24,27)
InChIKeyHLFUFVFYYLYVMR-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide

N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide (PubChem CID 56961047) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide
PubChem CID56961047
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC NameN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide
SMILESCC(C)(C)c1c(F)cc(OCCNC(=O)Cc2cnn3ccccc23)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-21(2,3)20-16(22)11-15(12-17(20)23)28-9-7-24-19(27)10-14-13-25-26-8-5-4-6-18(14)26/h4-6,8,11-13H,7,9-10H2,1-3H3,(H,24,27)
InChIKeyHLFUFVFYYLYVMR-UHFFFAOYSA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide?
The IUPAC name of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide (CID 56961047) is N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide is CC(C)(C)c1c(F)cc(OCCNC(=O)Cc2cnn3ccccc23)cc1F.
What is the InChIKey of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide?
The InChIKey is HLFUFVFYYLYVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-21(2,3)20-16(22)11-15(12-17(20)23)28-9-7-24-19(27)10-14-13-25-26-8-5-4-6-18(14)26/h4-6,8,11-13H,7,9-10H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide?
N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide has a molecular weight of 387.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-2-pyrazolo[1,5-a]pyridin-3-ylacetamide is sourced from PubChem (CID 56961047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).