[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone

C18H24N6O — CID 118746670

IUPAC[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
SMILESCn1cc(CN2CCCC3(CCN(C(=O)c4cnccn4)C3)C2)cn1
InChIInChI=1S/C18H24N6O/c1-22-11-15(9-21-22)12-23-7-2-3-18(13-23)4-8-24(14-18)17(25)16-10-19-5-6-20-16/h5-6,9-11H,2-4,7-8,12-14H2,1H3
InChIKeyQORRKDITDLDYKU-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.34
Rot. Bonds3

About [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone

[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone (PubChem CID 118746670) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
PubChem CID118746670
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
SMILESCn1cc(CN2CCCC3(CCN(C(=O)c4cnccn4)C3)C2)cn1
InChIInChI=1S/C18H24N6O/c1-22-11-15(9-21-22)12-23-7-2-3-18(13-23)4-8-24(14-18)17(25)16-10-19-5-6-20-16/h5-6,9-11H,2-4,7-8,12-14H2,1H3
InChIKeyQORRKDITDLDYKU-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone 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 [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone (CID 118746670) is [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone is Cn1cc(CN2CCCC3(CCN(C(=O)c4cnccn4)C3)C2)cn1.
What is the InChIKey of [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is QORRKDITDLDYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22-11-15(9-21-22)12-23-7-2-3-18(13-23)4-8-24(14-18)17(25)16-10-19-5-6-20-16/h5-6,9-11H,2-4,7-8,12-14H2,1H3.
What are the key properties of [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
[9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 118746670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).