7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C23H29N3OS — CID 176501195

IUPAC7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(Cc2ccccn2)CCC12CCN(Cc1ccc(C3CCCC3)s1)C2
InChIInChI=1S/C23H29N3OS/c27-22-23(11-14-26(22)15-19-7-3-4-12-24-19)10-13-25(17-23)16-20-8-9-21(28-20)18-5-1-2-6-18/h3-4,7-9,12,18H,1-2,5-6,10-11,13-17H2
InChIKeyGYRPGGWQHQSZTK-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.43
Rot. Bonds5

About 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176501195) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176501195
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(Cc2ccccn2)CCC12CCN(Cc1ccc(C3CCCC3)s1)C2
InChIInChI=1S/C23H29N3OS/c27-22-23(11-14-26(22)15-19-7-3-4-12-24-19)10-13-25(17-23)16-20-8-9-21(28-20)18-5-1-2-6-18/h3-4,7-9,12,18H,1-2,5-6,10-11,13-17H2
InChIKeyGYRPGGWQHQSZTK-UHFFFAOYSA-N
XLogP4.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 176506183
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506288
7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502958
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
2,8-bis(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693389
(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 42099218
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344
(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97371992
9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118746385
N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645484

Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176501195) is 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1N(Cc2ccccn2)CCC12CCN(Cc1ccc(C3CCCC3)s1)C2.
What is the InChIKey of 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is GYRPGGWQHQSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c27-22-23(11-14-26(22)15-19-7-3-4-12-24-19)10-13-25(17-23)16-20-8-9-21(28-20)18-5-1-2-6-18/h3-4,7-9,12,18H,1-2,5-6,10-11,13-17H2.
What are the key properties of 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 395.57 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176501195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).