1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

C23H25N3O2 — CID 58199084

IUPAC1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1ccn2ncc(-c3ccc4c(c3)COC3(CCN(C5CCC5)CC3)O4)c2c1
InChIInChI=1S/C23H25N3O2/c1-2-11-26-21(6-1)20(15-24-26)17-7-8-22-18(14-17)16-27-23(28-22)9-12-25(13-10-23)19-4-3-5-19/h1-2,6-8,11,14-15,19H,3-5,9-10,12-13,16H2
InChIKeyCEYPIBKISJRJCK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.25
Rot. Bonds2

About 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 58199084) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID58199084
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1ccn2ncc(-c3ccc4c(c3)COC3(CCN(C5CCC5)CC3)O4)c2c1
InChIInChI=1S/C23H25N3O2/c1-2-11-26-21(6-1)20(15-24-26)17-7-8-22-18(14-17)16-27-23(28-22)9-12-25(13-10-23)19-4-3-5-19/h1-2,6-8,11,14-15,19H,3-5,9-10,12-13,16H2
InChIKeyCEYPIBKISJRJCK-UHFFFAOYSA-N
XLogP4.25
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 58199084) is 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is c1ccn2ncc(-c3ccc4c(c3)COC3(CCN(C5CCC5)CC3)O4)c2c1.
What is the InChIKey of 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is CEYPIBKISJRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-11-26-21(6-1)20(15-24-26)17-7-8-22-18(14-17)16-27-23(28-22)9-12-25(13-10-23)19-4-3-5-19/h1-2,6-8,11,14-15,19H,3-5,9-10,12-13,16H2.
What are the key properties of 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 375.47 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 58199084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).