4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline

C20H21FN4O3 — CID 118197865

IUPAC4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cc(N3CCC4(CC3)OCCO4)cn3nccc23)c(F)c1
InChIInChI=1S/C20H21FN4O3/c21-16-11-14(22)1-2-18(16)28-19-12-15(13-25-17(19)3-6-23-25)24-7-4-20(5-8-24)26-9-10-27-20/h1-3,6,11-13H,4-5,7-10,22H2
InChIKeyYIBABYPKDDYCPW-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.19
Rot. Bonds3

About 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline

4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline (PubChem CID 118197865) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline
PubChem CID118197865
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cc(N3CCC4(CC3)OCCO4)cn3nccc23)c(F)c1
InChIInChI=1S/C20H21FN4O3/c21-16-11-14(22)1-2-18(16)28-19-12-15(13-25-17(19)3-6-23-25)24-7-4-20(5-8-24)26-9-10-27-20/h1-3,6,11-13H,4-5,7-10,22H2
InChIKeyYIBABYPKDDYCPW-UHFFFAOYSA-N
XLogP3.19
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline?
The IUPAC name of 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline (CID 118197865) is 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline.
What is the SMILES notation for 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline?
The canonical SMILES for 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline is Nc1ccc(Oc2cc(N3CCC4(CC3)OCCO4)cn3nccc23)c(F)c1.
What is the InChIKey of 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline?
The InChIKey is YIBABYPKDDYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-16-11-14(22)1-2-18(16)28-19-12-15(13-25-17(19)3-6-23-25)24-7-4-20(5-8-24)26-9-10-27-20/h1-3,6,11-13H,4-5,7-10,22H2.
What are the key properties of 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline?
4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline has a molecular weight of 384.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluoroaniline is sourced from PubChem (CID 118197865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).