[8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C21H32N6O — CID 91910578

IUPAC[8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCn1nc(C)c(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)c1C
InChIInChI=1S/C21H32N6O/c1-4-27-17(3)19(16(2)24-27)12-25-9-6-21(7-10-25)14-26(11-18(21)13-28)20-5-8-22-15-23-20/h5,8,15,18,28H,4,6-7,9-14H2,1-3H3
InChIKeyBUCFHRAOEKOGMR-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.02
Rot. Bonds5

About [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91910578) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91910578
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name[8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCn1nc(C)c(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)c1C
InChIInChI=1S/C21H32N6O/c1-4-27-17(3)19(16(2)24-27)12-25-9-6-21(7-10-25)14-26(11-18(21)13-28)20-5-8-22-15-23-20/h5,8,15,18,28H,4,6-7,9-14H2,1-3H3
InChIKeyBUCFHRAOEKOGMR-UHFFFAOYSA-N
XLogP2.02
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91910578) is [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is CCn1nc(C)c(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)c1C.
What is the InChIKey of [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is BUCFHRAOEKOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-4-27-17(3)19(16(2)24-27)12-25-9-6-21(7-10-25)14-26(11-18(21)13-28)20-5-8-22-15-23-20/h5,8,15,18,28H,4,6-7,9-14H2,1-3H3.
What are the key properties of [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 384.53 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91910578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).