3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C22H24ClN5O — CID 132778478

IUPAC3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCNCC2)CC1Cc1cccc(-c2cnc3ccc(Cl)cn23)n1
InChIInChI=1S/C22H24ClN5O/c1-27-17(12-22(21(27)29)7-9-24-10-8-22)11-16-3-2-4-18(26-16)19-13-25-20-6-5-15(23)14-28(19)20/h2-6,13-14,17,24H,7-12H2,1H3
InChIKeyYTFQWJLNJAETKF-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.19
Rot. Bonds3

About 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 132778478) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID132778478
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCNCC2)CC1Cc1cccc(-c2cnc3ccc(Cl)cn23)n1
InChIInChI=1S/C22H24ClN5O/c1-27-17(12-22(21(27)29)7-9-24-10-8-22)11-16-3-2-4-18(26-16)19-13-25-20-6-5-15(23)14-28(19)20/h2-6,13-14,17,24H,7-12H2,1H3
InChIKeyYTFQWJLNJAETKF-UHFFFAOYSA-N
XLogP3.19
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 132778478) is 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCNCC2)CC1Cc1cccc(-c2cnc3ccc(Cl)cn23)n1.
What is the InChIKey of 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YTFQWJLNJAETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-27-17(12-22(21(27)29)7-9-24-10-8-22)11-16-3-2-4-18(26-16)19-13-25-20-6-5-15(23)14-28(19)20/h2-6,13-14,17,24H,7-12H2,1H3.
What are the key properties of 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 409.92 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 132778478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).