2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C22H23N5O2 — CID 176506183

IUPAC2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(Cc2ccccn2)CCC12CCN(Cc1cc(-c3ccncc3)no1)C2
InChIInChI=1S/C22H23N5O2/c28-21-22(7-12-27(21)14-18-3-1-2-8-24-18)6-11-26(16-22)15-19-13-20(25-29-19)17-4-9-23-10-5-17/h1-5,8-10,13H,6-7,11-12,14-16H2
InChIKeyKXCIVUCLEQKIKW-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.76
Rot. Bonds5

About 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176506183) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176506183
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(Cc2ccccn2)CCC12CCN(Cc1cc(-c3ccncc3)no1)C2
InChIInChI=1S/C22H23N5O2/c28-21-22(7-12-27(21)14-18-3-1-2-8-24-18)6-11-26(16-22)15-19-13-20(25-29-19)17-4-9-23-10-5-17/h1-5,8-10,13H,6-7,11-12,14-16H2
InChIKeyKXCIVUCLEQKIKW-UHFFFAOYSA-N
XLogP2.76
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501195
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
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
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 95853716
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118746385
(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97371992
7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506532
5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91839693

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 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) is 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is O=C1N(Cc2ccccn2)CCC12CCN(Cc1cc(-c3ccncc3)no1)C2.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is KXCIVUCLEQKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21-22(7-12-27(21)14-18-3-1-2-8-24-18)6-11-26(16-22)15-19-13-20(25-29-19)17-4-9-23-10-5-17/h1-5,8-10,13H,6-7,11-12,14-16H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 389.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176506183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).