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

C21H23F2N3O2 — CID 123233650

IUPAC4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide
SMILESCC(C)(C)c1c(F)cc(OCCC(C(N)=O)c2cnn3ccccc23)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-21(2,3)19-16(22)10-13(11-17(19)23)28-9-7-14(20(24)27)15-12-25-26-8-5-4-6-18(15)26/h4-6,8,10-12,14H,7,9H2,1-3H3,(H2,24,27)
InChIKeyHVVATQKPZDTNIB-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.95
Rot. Bonds6

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

4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide (PubChem CID 123233650) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide
PubChem CID123233650
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide
SMILESCC(C)(C)c1c(F)cc(OCCC(C(N)=O)c2cnn3ccccc23)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-21(2,3)19-16(22)10-13(11-17(19)23)28-9-7-14(20(24)27)15-12-25-26-8-5-4-6-18(15)26/h4-6,8,10-12,14H,7,9H2,1-3H3,(H2,24,27)
InChIKeyHVVATQKPZDTNIB-UHFFFAOYSA-N
XLogP3.95
TPSA69.62 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide?
The IUPAC name of 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide (CID 123233650) is 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide?
The canonical SMILES for 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide is CC(C)(C)c1c(F)cc(OCCC(C(N)=O)c2cnn3ccccc23)cc1F.
What is the InChIKey of 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide?
The InChIKey is HVVATQKPZDTNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-21(2,3)19-16(22)10-13(11-17(19)23)28-9-7-14(20(24)27)15-12-25-26-8-5-4-6-18(15)26/h4-6,8,10-12,14H,7,9H2,1-3H3,(H2,24,27).
What are the key properties of 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide?
4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide has a molecular weight of 387.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3,5-difluorophenoxy)-2-pyrazolo[1,5-a]pyridin-3-ylbutanamide is sourced from PubChem (CID 123233650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).