1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

C18H21N5O2 — CID 154781659

IUPAC1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(c2ccnn2Cc2ccccn2)C(=O)C12CCCCC2
InChIInChI=1S/C18H21N5O2/c1-21-17(25)23(16(24)18(21)9-4-2-5-10-18)15-8-12-20-22(15)13-14-7-3-6-11-19-14/h3,6-8,11-12H,2,4-5,9-10,13H2,1H3
InChIKeyDEYISHDAEGDPJW-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds3

About 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 154781659) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID154781659
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(c2ccnn2Cc2ccccn2)C(=O)C12CCCCC2
InChIInChI=1S/C18H21N5O2/c1-21-17(25)23(16(24)18(21)9-4-2-5-10-18)15-8-12-20-22(15)13-14-7-3-6-11-19-14/h3,6-8,11-12H,2,4-5,9-10,13H2,1H3
InChIKeyDEYISHDAEGDPJW-UHFFFAOYSA-N
XLogP2.43
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 154781659) is 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(c2ccnn2Cc2ccccn2)C(=O)C12CCCCC2.
What is the InChIKey of 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DEYISHDAEGDPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-17(25)23(16(24)18(21)9-4-2-5-10-18)15-8-12-20-22(15)13-14-7-3-6-11-19-14/h3,6-8,11-12H,2,4-5,9-10,13H2,1H3.
What are the key properties of 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154781659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).