8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

C23H22ClN3O — CID 162668464

IUPAC8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1cccc3ccccc13)CC2
InChIInChI=1S/C23H22ClN3O/c24-20-15-25-14-19(18-7-3-5-16-4-1-2-6-17(16)18)21(20)27-12-9-23(10-13-27)8-11-26-22(23)28/h1-7,14-15H,8-13H2,(H,26,28)
InChIKeyYSBNRVRADYMQNP-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.66
Rot. Bonds2

About 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162668464) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162668464
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1cccc3ccccc13)CC2
InChIInChI=1S/C23H22ClN3O/c24-20-15-25-14-19(18-7-3-5-16-4-1-2-6-17(16)18)21(20)27-12-9-23(10-13-27)8-11-26-22(23)28/h1-7,14-15H,8-13H2,(H,26,28)
InChIKeyYSBNRVRADYMQNP-UHFFFAOYSA-N
XLogP4.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (CID 162668464) is 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1cccc3ccccc13)CC2.
What is the InChIKey of 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YSBNRVRADYMQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-20-15-25-14-19(18-7-3-5-16-4-1-2-6-17(16)18)21(20)27-12-9-23(10-13-27)8-11-26-22(23)28/h1-7,14-15H,8-13H2,(H,26,28).
What are the key properties of 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 391.90 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).