[2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

C18H24N6O — CID 118739644

IUPAC[2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESCn1cc(CN2CCC3(CCCN(C(=O)c4cnccn4)C3)C2)cn1
InChIInChI=1S/C18H24N6O/c1-22-11-15(9-21-22)12-23-8-4-18(13-23)3-2-7-24(14-18)17(25)16-10-19-5-6-20-16/h5-6,9-11H,2-4,7-8,12-14H2,1H3
InChIKeyGSTOKQKBFMGZCR-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.34
Rot. Bonds3

About [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

[2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (PubChem CID 118739644) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
PubChem CID118739644
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESCn1cc(CN2CCC3(CCCN(C(=O)c4cnccn4)C3)C2)cn1
InChIInChI=1S/C18H24N6O/c1-22-11-15(9-21-22)12-23-8-4-18(13-23)3-2-7-24(14-18)17(25)16-10-19-5-6-20-16/h5-6,9-11H,2-4,7-8,12-14H2,1H3
InChIKeyGSTOKQKBFMGZCR-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

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (CID 118739644) is [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is Cn1cc(CN2CCC3(CCCN(C(=O)c4cnccn4)C3)C2)cn1.
What is the InChIKey of [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is GSTOKQKBFMGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22-11-15(9-21-22)12-23-8-4-18(13-23)3-2-7-24(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 [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
[2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-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 [2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 118739644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).