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

C20H21F2N3O2 — CID 56949431

IUPACN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)c1c(F)cc(OCCNC(=O)c2cnn3ccccc23)cc1F
InChIInChI=1S/C20H21F2N3O2/c1-20(2,3)18-15(21)10-13(11-16(18)22)27-9-7-23-19(26)14-12-24-25-8-5-4-6-17(14)25/h4-6,8,10-12H,7,9H2,1-3H3,(H,23,26)
InChIKeySDAKWMHNXUGINA-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.72
Rot. Bonds5

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

N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 56949431) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID56949431
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)c1c(F)cc(OCCNC(=O)c2cnn3ccccc23)cc1F
InChIInChI=1S/C20H21F2N3O2/c1-20(2,3)18-15(21)10-13(11-16(18)22)27-9-7-23-19(26)14-12-24-25-8-5-4-6-17(14)25/h4-6,8,10-12H,7,9H2,1-3H3,(H,23,26)
InChIKeySDAKWMHNXUGINA-UHFFFAOYSA-N
XLogP3.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.72
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]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 56949431) is N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)c1c(F)cc(OCCNC(=O)c2cnn3ccccc23)cc1F.
What is the InChIKey of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SDAKWMHNXUGINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-20(2,3)18-15(21)10-13(11-16(18)22)27-9-7-23-19(26)14-12-24-25-8-5-4-6-17(14)25/h4-6,8,10-12H,7,9H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.72, 5 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]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 56949431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).