1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C22H26N4O2 — CID 3668127

IUPAC1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCCN1CCC2(CC1)Oc1c(OC)cccc1C1CC(c3cccnc3)=NN12
InChIInChI=1S/C22H26N4O2/c1-3-25-12-9-22(10-13-25)26-19(14-18(24-26)16-6-5-11-23-15-16)17-7-4-8-20(27-2)21(17)28-22/h4-8,11,15,19H,3,9-10,12-14H2,1-2H3
InChIKeySYBNGHPYRWHCPA-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.45
Rot. Bonds3

About 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 3668127) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

Compound Name1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
PubChem CID3668127
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCCN1CCC2(CC1)Oc1c(OC)cccc1C1CC(c3cccnc3)=NN12
InChIInChI=1S/C22H26N4O2/c1-3-25-12-9-22(10-13-25)26-19(14-18(24-26)16-6-5-11-23-15-16)17-7-4-8-20(27-2)21(17)28-22/h4-8,11,15,19H,3,9-10,12-14H2,1-2H3
InChIKeySYBNGHPYRWHCPA-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The IUPAC name of 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 3668127) is 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
What is the SMILES notation for 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The canonical SMILES for 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is CCN1CCC2(CC1)Oc1c(OC)cccc1C1CC(c3cccnc3)=NN12.
What is the InChIKey of 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The InChIKey is SYBNGHPYRWHCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-25-12-9-22(10-13-25)26-19(14-18(24-26)16-6-5-11-23-15-16)17-7-4-8-20(27-2)21(17)28-22/h4-8,11,15,19H,3,9-10,12-14H2,1-2H3.
What are the key properties of 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 378.48 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 3668127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).