[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone

C18H24N6O2 — CID 91921963

IUPAC[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CC3CO)cn1
InChIInChI=1S/C18H24N6O2/c1-22-10-14(9-21-22)16(26)23-7-3-18(4-8-23)13-24(11-15(18)12-25)17-19-5-2-6-20-17/h2,5-6,9-10,15,25H,3-4,7-8,11-13H2,1H3
InChIKeyVDROSOLWTJVQJL-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.56
Rot. Bonds3

About [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone

[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 91921963) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID91921963
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CC3CO)cn1
InChIInChI=1S/C18H24N6O2/c1-22-10-14(9-21-22)16(26)23-7-3-18(4-8-23)13-24(11-15(18)12-25)17-19-5-2-6-20-17/h2,5-6,9-10,15,25H,3-4,7-8,11-13H2,1H3
InChIKeyVDROSOLWTJVQJL-UHFFFAOYSA-N
XLogP0.56
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone (CID 91921963) is [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CC3CO)cn1.
What is the InChIKey of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is VDROSOLWTJVQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-10-14(9-21-22)16(26)23-7-3-18(4-8-23)13-24(11-15(18)12-25)17-19-5-2-6-20-17/h2,5-6,9-10,15,25H,3-4,7-8,11-13H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 91921963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).