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

C18H25N5O — CID 131659634

IUPAC8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)CC(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
InChIKeyOOBOYZGGEMLHAN-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.06
Rot. Bonds3

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

8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131659634) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID131659634
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)CC(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
InChIKeyOOBOYZGGEMLHAN-UHFFFAOYSA-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

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

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Related Compounds

8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 134071181
8-(2-phenylethyl)-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155847491
1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one
CID 170992112
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118745893
5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 175648305
8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118746332
(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 97371169
(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371135
(3S)-3-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371170
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane
CID 124520492
3-(4-methylpiperazin-1-yl)-8-[(1-methylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 134074005
(3S,4R)-9-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165418440

Frequently Asked Questions

What is the IUPAC name of 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane (CID 131659634) is 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CC2)CC(c2cncnc2)CO3)nn1C.
What is the InChIKey of 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is OOBOYZGGEMLHAN-UHFFFAOYSA-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.
What are the key properties of 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
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 8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131659634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).