[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone

C18H24N6O — CID 97449478

IUPAC[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
SMILESCn1cc(CN2CCC3(CC2)CCN(C(=O)c2cnccn2)C3)cn1
InChIInChI=1S/C18H24N6O/c1-22-12-15(10-21-22)13-23-7-2-18(3-8-23)4-9-24(14-18)17(25)16-11-19-5-6-20-16/h5-6,10-12H,2-4,7-9,13-14H2,1H3
InChIKeyDULPDWMTMDHKGK-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.34
Rot. Bonds3

About [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone

[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone (PubChem CID 97449478) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
PubChem CID97449478
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
SMILESCn1cc(CN2CCC3(CC2)CCN(C(=O)c2cnccn2)C3)cn1
InChIInChI=1S/C18H24N6O/c1-22-12-15(10-21-22)13-23-7-2-18(3-8-23)4-9-24(14-18)17(25)16-11-19-5-6-20-16/h5-6,10-12H,2-4,7-9,13-14H2,1H3
InChIKeyDULPDWMTMDHKGK-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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Related Compounds

[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388
[2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97370069
[7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 97472688
N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 131662142
[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743687
[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone
CID 97450392
[2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 131655788
[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155835644
N-[(4S,5R)-5-hydroxy-4-methyl-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 169415115
[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone
CID 97370689
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642956

Frequently Asked Questions

What is the IUPAC name of [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone (CID 97449478) is [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone is Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cnccn2)C3)cn1.
What is the InChIKey of [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is DULPDWMTMDHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22-12-15(10-21-22)13-23-7-2-18(3-8-23)4-9-24(14-18)17(25)16-11-19-5-6-20-16/h5-6,10-12H,2-4,7-9,13-14H2,1H3.
What are the key properties of [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
[8-[(1-methylpyrazol-4-yl)methyl]-2,8-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 [8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97449478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).