(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane

C21H30N4O2 — CID 124810202

IUPAC(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)n(C)n1
InChIInChI=1S/C21H30N4O2/c1-17-14-19(24(2)23-17)16-25-10-7-21(8-11-25)18(6-13-27-21)5-12-26-20-4-3-9-22-15-20/h3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3/t18-/m0/s1
InChIKeyMYUWCLRVKWQXDC-SFHVURJKSA-N
MW370.50 g/mol
LogP2.96
Rot. Bonds6

About (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane

(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124810202) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124810202
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)n(C)n1
InChIInChI=1S/C21H30N4O2/c1-17-14-19(24(2)23-17)16-25-10-7-21(8-11-25)18(6-13-27-21)5-12-26-20-4-3-9-22-15-20/h3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3/t18-/m0/s1
InChIKeyMYUWCLRVKWQXDC-SFHVURJKSA-N
XLogP2.96
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124810202) is (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)n(C)n1.
What is the InChIKey of (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is MYUWCLRVKWQXDC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-17-14-19(24(2)23-17)16-25-10-7-21(8-11-25)18(6-13-27-21)5-12-26-20-4-3-9-22-15-20/h3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3/t18-/m0/s1.
What are the key properties of (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane?
(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 370.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124810202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).