[8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H28N6O — CID 91922284

IUPAC[8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1cc(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)n(C)n1
InChIInChI=1S/C19H28N6O/c1-15-9-17(23(2)22-15)11-24-7-4-19(5-8-24)13-25(10-16(19)12-26)18-3-6-20-14-21-18/h3,6,9,14,16,26H,4-5,7-8,10-13H2,1-2H3
InChIKeyYVMTXQKMODZBTD-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.23
Rot. Bonds4

About [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91922284) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91922284
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1cc(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)n(C)n1
InChIInChI=1S/C19H28N6O/c1-15-9-17(23(2)22-15)11-24-7-4-19(5-8-24)13-25(10-16(19)12-26)18-3-6-20-14-21-18/h3,6,9,14,16,26H,4-5,7-8,10-13H2,1-2H3
InChIKeyYVMTXQKMODZBTD-UHFFFAOYSA-N
XLogP1.23
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91922284) is [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is Cc1cc(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)n(C)n1.
What is the InChIKey of [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is YVMTXQKMODZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-9-17(23(2)22-15)11-24-7-4-19(5-8-24)13-25(10-16(19)12-26)18-3-6-20-14-21-18/h3,6,9,14,16,26H,4-5,7-8,10-13H2,1-2H3.
What are the key properties of [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2,5-dimethylpyrazol-3-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91922284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).