9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane

C20H29N5 — CID 97450441

IUPAC9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCC3(CCCN(Cc4ccccn4)C3)CC2)cn1
InChIInChI=1S/C20H29N5/c1-23-14-18(13-22-23)15-24-11-7-20(8-12-24)6-4-10-25(17-20)16-19-5-2-3-9-21-19/h2-3,5,9,13-14H,4,6-8,10-12,15-17H2,1H3
InChIKeyKLEUFWFOQDXKPM-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.69
Rot. Bonds4

About 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane

9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 97450441) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
PubChem CID97450441
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCC3(CCCN(Cc4ccccn4)C3)CC2)cn1
InChIInChI=1S/C20H29N5/c1-23-14-18(13-22-23)15-24-11-7-20(8-12-24)6-4-10-25(17-20)16-19-5-2-3-9-21-19/h2-3,5,9,13-14H,4,6-8,10-12,15-17H2,1H3
InChIKeyKLEUFWFOQDXKPM-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane (CID 97450441) is 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane is Cn1cc(CN2CCC3(CCCN(Cc4ccccn4)C3)CC2)cn1.
What is the InChIKey of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is KLEUFWFOQDXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-23-14-18(13-22-23)15-24-11-7-20(8-12-24)6-4-10-25(17-20)16-19-5-2-3-9-21-19/h2-3,5,9,13-14H,4,6-8,10-12,15-17H2,1H3.
What are the key properties of 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 339.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).