10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane

C20H24F2N4 — CID 118747244

IUPAC10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESFC1(F)CCN(Cc2ccncc2)CC12CCN(Cc1ccccn1)C2
InChIInChI=1S/C20H24F2N4/c21-20(22)7-12-25(13-17-4-9-23-10-5-17)15-19(20)6-11-26(16-19)14-18-3-1-2-8-24-18/h1-5,8-10H,6-7,11-16H2
InChIKeyUIVNGWMALJSRNJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.21
Rot. Bonds4

About 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane

10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane (PubChem CID 118747244) has the molecular formula C20H24F2N4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
PubChem CID118747244
Molecular FormulaC20H24F2N4
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESFC1(F)CCN(Cc2ccncc2)CC12CCN(Cc1ccccn1)C2
InChIInChI=1S/C20H24F2N4/c21-20(22)7-12-25(13-17-4-9-23-10-5-17)15-19(20)6-11-26(16-19)14-18-3-1-2-8-24-18/h1-5,8-10H,6-7,11-16H2
InChIKeyUIVNGWMALJSRNJ-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane (CID 118747244) is 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane is FC1(F)CCN(Cc2ccncc2)CC12CCN(Cc1ccccn1)C2.
What is the InChIKey of 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is UIVNGWMALJSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4/c21-20(22)7-12-25(13-17-4-9-23-10-5-17)15-19(20)6-11-26(16-19)14-18-3-1-2-8-24-18/h1-5,8-10H,6-7,11-16H2.
What are the key properties of 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane?
10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 358.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-2-(pyridin-2-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118747244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).