2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane

C20H29N5O — CID 131695629

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane
SMILESCc1c(CN2CC3(CC(COCc4ccncc4)CN3C)C2)cnn1C
InChIInChI=1S/C20H29N5O/c1-16-19(9-22-24(16)3)11-25-14-20(15-25)8-18(10-23(20)2)13-26-12-17-4-6-21-7-5-17/h4-7,9,18H,8,10-15H2,1-3H3
InChIKeyNWWQDTZDXSDPSG-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.85
Rot. Bonds6

About 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane

2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane (PubChem CID 131695629) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane
PubChem CID131695629
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane
SMILESCc1c(CN2CC3(CC(COCc4ccncc4)CN3C)C2)cnn1C
InChIInChI=1S/C20H29N5O/c1-16-19(9-22-24(16)3)11-25-14-20(15-25)8-18(10-23(20)2)13-26-12-17-4-6-21-7-5-17/h4-7,9,18H,8,10-15H2,1-3H3
InChIKeyNWWQDTZDXSDPSG-UHFFFAOYSA-N
XLogP1.85
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane (CID 131695629) is 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane is Cc1c(CN2CC3(CC(COCc4ccncc4)CN3C)C2)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane?
The InChIKey is NWWQDTZDXSDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16-19(9-22-24(16)3)11-25-14-20(15-25)8-18(10-23(20)2)13-26-12-17-4-6-21-7-5-17/h4-7,9,18H,8,10-15H2,1-3H3.
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane?
2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane has a molecular weight of 355.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane is sourced from PubChem (CID 131695629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).