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

C20H30N6O — CID 91921927

IUPAC[8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCn1cc(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)c(C)n1
InChIInChI=1S/C20H30N6O/c1-3-26-11-17(16(2)23-26)10-24-8-5-20(6-9-24)14-25(12-18(20)13-27)19-4-7-21-15-22-19/h4,7,11,15,18,27H,3,5-6,8-10,12-14H2,1-2H3
InChIKeyDXNYKFSYYCKAFT-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.71
Rot. Bonds5

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

[8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921927) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921927
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCn1cc(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)c(C)n1
InChIInChI=1S/C20H30N6O/c1-3-26-11-17(16(2)23-26)10-24-8-5-20(6-9-24)14-25(12-18(20)13-27)19-4-7-21-15-22-19/h4,7,11,15,18,27H,3,5-6,8-10,12-14H2,1-2H3
InChIKeyDXNYKFSYYCKAFT-UHFFFAOYSA-N
XLogP1.71
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.71
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-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921927) is [8-[(1-ethyl-3-methylpyrazol-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-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is CCn1cc(CN2CCC3(CC2)CN(c2ccncn2)CC3CO)c(C)n1.
What is the InChIKey of [8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is DXNYKFSYYCKAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-3-26-11-17(16(2)23-26)10-24-8-5-20(6-9-24)14-25(12-18(20)13-27)19-4-7-21-15-22-19/h4,7,11,15,18,27H,3,5-6,8-10,12-14H2,1-2H3.
What are the key properties of [8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 370.50 g/mol, XLogP of 1.71, 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-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).