7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H22ClN5O — CID 176506288

IUPAC7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(Cc2ccccn2)CCC12CCN(CCn1cc(Cl)cn1)C2
InChIInChI=1S/C18H22ClN5O/c19-15-11-21-24(12-15)10-9-22-7-4-18(14-22)5-8-23(17(18)25)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13-14H2
InChIKeyNFYSLFNMPSCIHC-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.06
Rot. Bonds5

About 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176506288) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176506288
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(Cc2ccccn2)CCC12CCN(CCn1cc(Cl)cn1)C2
InChIInChI=1S/C18H22ClN5O/c19-15-11-21-24(12-15)10-9-22-7-4-18(14-22)5-8-23(17(18)25)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13-14H2
InChIKeyNFYSLFNMPSCIHC-UHFFFAOYSA-N
XLogP2.06
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2,8-bis(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693389
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
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
7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641227
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502958
(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395772
N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645484
N,N-dimethyl-1-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370311
7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641918
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176506288) is 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1N(Cc2ccccn2)CCC12CCN(CCn1cc(Cl)cn1)C2.
What is the InChIKey of 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is NFYSLFNMPSCIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c19-15-11-21-24(12-15)10-9-22-7-4-18(14-22)5-8-23(17(18)25)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13-14H2.
What are the key properties of 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 359.86 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176506288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).