7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

C22H25N3O2 — CID 6616948

IUPAC7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESCCOc1cccc2c1OC1(CCCCC1)N1N=C(c3cccnc3)CC21
InChIInChI=1S/C22H25N3O2/c1-2-26-20-10-6-9-17-19-14-18(16-8-7-13-23-15-16)24-25(19)22(27-21(17)20)11-4-3-5-12-22/h6-10,13,15,19H,2-5,11-12,14H2,1H3
InChIKeyCNWISQJWDLFGAH-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.68
Rot. Bonds3

About 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (PubChem CID 6616948) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].

Molecular Properties

Compound Name7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
PubChem CID6616948
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESCCOc1cccc2c1OC1(CCCCC1)N1N=C(c3cccnc3)CC21
InChIInChI=1S/C22H25N3O2/c1-2-26-20-10-6-9-17-19-14-18(16-8-7-13-23-15-16)24-25(19)22(27-21(17)20)11-4-3-5-12-22/h6-10,13,15,19H,2-5,11-12,14H2,1H3
InChIKeyCNWISQJWDLFGAH-UHFFFAOYSA-N
XLogP4.68
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The IUPAC name of 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (CID 6616948) is 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
What is the SMILES notation for 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The canonical SMILES for 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is CCOc1cccc2c1OC1(CCCCC1)N1N=C(c3cccnc3)CC21.
What is the InChIKey of 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The InChIKey is CNWISQJWDLFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-26-20-10-6-9-17-19-14-18(16-8-7-13-23-15-16)24-25(19)22(27-21(17)20)11-4-3-5-12-22/h6-10,13,15,19H,2-5,11-12,14H2,1H3.
What are the key properties of 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] has a molecular weight of 363.46 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is sourced from PubChem (CID 6616948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).