N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C21H23F2N3O3 — CID 56961050

IUPACN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)c1c(F)cc(OCCNC(=O)c2cnn3c(CO)cccc23)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-21(2,3)19-16(22)9-14(10-17(19)23)29-8-7-24-20(28)15-11-25-26-13(12-27)5-4-6-18(15)26/h4-6,9-11,27H,7-8,12H2,1-3H3,(H,24,28)
InChIKeySNBOLRWYZPETPJ-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 56961050) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID56961050
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC NameN-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)c1c(F)cc(OCCNC(=O)c2cnn3c(CO)cccc23)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-21(2,3)19-16(22)9-14(10-17(19)23)29-8-7-24-20(28)15-11-25-26-13(12-27)5-4-6-18(15)26/h4-6,9-11,27H,7-8,12H2,1-3H3,(H,24,28)
InChIKeySNBOLRWYZPETPJ-UHFFFAOYSA-N
XLogP3.21
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 56961050) is N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)c1c(F)cc(OCCNC(=O)c2cnn3c(CO)cccc23)cc1F.
What is the InChIKey of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SNBOLRWYZPETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-21(2,3)19-16(22)9-14(10-17(19)23)29-8-7-24-20(28)15-11-25-26-13(12-27)5-4-6-18(15)26/h4-6,9-11,27H,7-8,12H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 56961050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).