1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C21H24N4O — CID 4297073

IUPAC1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12
InChIInChI=1S/C21H24N4O/c1-2-24-13-9-21(10-14-24)25-19(17-5-3-4-6-20(17)26-21)15-18(23-25)16-7-11-22-12-8-16/h3-8,11-12,19H,2,9-10,13-15H2,1H3
InChIKeyZKPPVHCDRPSISC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds2

About 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 4297073) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

Compound Name1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
PubChem CID4297073
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12
InChIInChI=1S/C21H24N4O/c1-2-24-13-9-21(10-14-24)25-19(17-5-3-4-6-20(17)26-21)15-18(23-25)16-7-11-22-12-8-16/h3-8,11-12,19H,2,9-10,13-15H2,1H3
InChIKeyZKPPVHCDRPSISC-UHFFFAOYSA-N
XLogP3.44
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The IUPAC name of 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 4297073) is 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
What is the SMILES notation for 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The canonical SMILES for 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is CCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12.
What is the InChIKey of 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The InChIKey is ZKPPVHCDRPSISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-24-13-9-21(10-14-24)25-19(17-5-3-4-6-20(17)26-21)15-18(23-25)16-7-11-22-12-8-16/h3-8,11-12,19H,2,9-10,13-15H2,1H3.
What are the key properties of 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 348.45 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 4297073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).