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

C24H24ClN3O2 — CID 162662703

IUPAC8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)c2ccccc12
InChIInChI=1S/C24H24ClN3O2/c1-30-21-7-6-17(16-4-2-3-5-18(16)21)19-14-26-15-20(25)22(19)28-12-9-24(10-13-28)8-11-27-23(24)29/h2-7,14-15H,8-13H2,1H3,(H,27,29)
InChIKeyMTZSGYFLSTWNDM-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.67
Rot. Bonds3

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

8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162662703) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162662703
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)c2ccccc12
InChIInChI=1S/C24H24ClN3O2/c1-30-21-7-6-17(16-4-2-3-5-18(16)21)19-14-26-15-20(25)22(19)28-12-9-24(10-13-28)8-11-27-23(24)29/h2-7,14-15H,8-13H2,1H3,(H,27,29)
InChIKeyMTZSGYFLSTWNDM-UHFFFAOYSA-N
XLogP4.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 162662703) is 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)c2ccccc12.
What is the InChIKey of 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MTZSGYFLSTWNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-30-21-7-6-17(16-4-2-3-5-18(16)21)19-14-26-15-20(25)22(19)28-12-9-24(10-13-28)8-11-27-23(24)29/h2-7,14-15H,8-13H2,1H3,(H,27,29).
What are the key properties of 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 421.93 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(4-methoxynaphthalen-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162662703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).