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

C20H29N5 — CID 70764303

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCCC23CCN(c2cccc(C)n2)CC3)cn1
InChIInChI=1S/C20H29N5/c1-3-25-16-18(14-21-25)15-24-11-5-8-20(24)9-12-23(13-10-20)19-7-4-6-17(2)22-19/h4,6-7,14,16H,3,5,8-13,15H2,1-2H3
InChIKeyYCQVYJNDVQRWOZ-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.24
Rot. Bonds4

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

1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane (PubChem CID 70764303) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
PubChem CID70764303
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCCC23CCN(c2cccc(C)n2)CC3)cn1
InChIInChI=1S/C20H29N5/c1-3-25-16-18(14-21-25)15-24-11-5-8-20(24)9-12-23(13-10-20)19-7-4-6-17(2)22-19/h4,6-7,14,16H,3,5,8-13,15H2,1-2H3
InChIKeyYCQVYJNDVQRWOZ-UHFFFAOYSA-N
XLogP3.24
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane (CID 70764303) is 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane is CCn1cc(CN2CCCC23CCN(c2cccc(C)n2)CC3)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is YCQVYJNDVQRWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-3-25-16-18(14-21-25)15-24-11-5-8-20(24)9-12-23(13-10-20)19-7-4-6-17(2)22-19/h4,6-7,14,16H,3,5,8-13,15H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 339.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70764303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).