1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane

C21H31N5 — CID 70730875

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCCC23CCN(c2cccc(C)n2)CC3)c(C)n1
InChIInChI=1S/C21H31N5/c1-4-26-16-19(18(3)23-26)15-25-12-6-9-21(25)10-13-24(14-11-21)20-8-5-7-17(2)22-20/h5,7-8,16H,4,6,9-15H2,1-3H3
InChIKeyFFQJDEVWOVGFJT-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.55
Rot. Bonds4

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane (PubChem CID 70730875) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
PubChem CID70730875
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCCC23CCN(c2cccc(C)n2)CC3)c(C)n1
InChIInChI=1S/C21H31N5/c1-4-26-16-19(18(3)23-26)15-25-12-6-9-21(25)10-13-24(14-11-21)20-8-5-7-17(2)22-20/h5,7-8,16H,4,6,9-15H2,1-3H3
InChIKeyFFQJDEVWOVGFJT-UHFFFAOYSA-N
XLogP3.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane (CID 70730875) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane is CCn1cc(CN2CCCC23CCN(c2cccc(C)n2)CC3)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is FFQJDEVWOVGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-4-26-16-19(18(3)23-26)15-25-12-6-9-21(25)10-13-24(14-11-21)20-8-5-7-17(2)22-20/h5,7-8,16H,4,6,9-15H2,1-3H3.
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 353.51 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70730875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).