(3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane

C18H25N5O — CID 97394831

IUPAC(3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)C[C@H](c2cncnc2)CO3)nn1C
InChIInChI=1S/C18H25N5O/c1-14-7-17(21-22(14)2)11-23-5-3-18(4-6-23)8-15(12-24-18)16-9-19-13-20-10-16/h7,9-10,13,15H,3-6,8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyOOBOYZGGEMLHAN-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.06
Rot. Bonds3

About (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane

(3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97394831) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97394831
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)C[C@H](c2cncnc2)CO3)nn1C
InChIInChI=1S/C18H25N5O/c1-14-7-17(21-22(14)2)11-23-5-3-18(4-6-23)8-15(12-24-18)16-9-19-13-20-10-16/h7,9-10,13,15H,3-6,8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyOOBOYZGGEMLHAN-HNNXBMFYSA-N
XLogP2.06
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane (CID 97394831) is (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CC2)C[C@H](c2cncnc2)CO3)nn1C.
What is the InChIKey of (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is OOBOYZGGEMLHAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-7-17(21-22(14)2)11-23-5-3-18(4-6-23)8-15(12-24-18)16-9-19-13-20-10-16/h7,9-10,13,15H,3-6,8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 327.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97394831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).