8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one

C21H20ClN5O — CID 25020360

IUPAC8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1nc(-c3ccnc(Cl)c3)cc3cnccc13)CC2
InChIInChI=1S/C21H20ClN5O/c22-18-12-14(1-7-24-18)17-11-15-13-23-6-2-16(15)19(26-17)27-9-4-21(5-10-27)3-8-25-20(21)28/h1-2,6-7,11-13H,3-5,8-10H2,(H,25,28)
InChIKeyUBADRKNXRIRBSR-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.45
Rot. Bonds2

About 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 25020360) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID25020360
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1nc(-c3ccnc(Cl)c3)cc3cnccc13)CC2
InChIInChI=1S/C21H20ClN5O/c22-18-12-14(1-7-24-18)17-11-15-13-23-6-2-16(15)19(26-17)27-9-4-21(5-10-27)3-8-25-20(21)28/h1-2,6-7,11-13H,3-5,8-10H2,(H,25,28)
InChIKeyUBADRKNXRIRBSR-UHFFFAOYSA-N
XLogP3.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 25020360) is 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1nc(-c3ccnc(Cl)c3)cc3cnccc13)CC2.
What is the InChIKey of 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UBADRKNXRIRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-18-12-14(1-7-24-18)17-11-15-13-23-6-2-16(15)19(26-17)27-9-4-21(5-10-27)3-8-25-20(21)28/h1-2,6-7,11-13H,3-5,8-10H2,(H,25,28).
What are the key properties of 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 393.88 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 25020360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).