8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C18H19N5O2 — CID 118740945

IUPAC8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(C(=O)c3ccnnc3)CC2)N1
InChIInChI=1S/C18H19N5O2/c24-16-11-15(13-1-6-19-7-2-13)18(22-16)4-9-23(10-5-18)17(25)14-3-8-20-21-12-14/h1-3,6-8,12,15H,4-5,9-11H2,(H,22,24)
InChIKeyDHSWKVCNQHGNRA-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.15
Rot. Bonds2

About 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118740945) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118740945
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(C(=O)c3ccnnc3)CC2)N1
InChIInChI=1S/C18H19N5O2/c24-16-11-15(13-1-6-19-7-2-13)18(22-16)4-9-23(10-5-18)17(25)14-3-8-20-21-12-14/h1-3,6-8,12,15H,4-5,9-11H2,(H,22,24)
InChIKeyDHSWKVCNQHGNRA-UHFFFAOYSA-N
XLogP1.15
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118740945) is 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1CC(c2ccncc2)C2(CCN(C(=O)c3ccnnc3)CC2)N1.
What is the InChIKey of 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DHSWKVCNQHGNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16-11-15(13-1-6-19-7-2-13)18(22-16)4-9-23(10-5-18)17(25)14-3-8-20-21-12-14/h1-3,6-8,12,15H,4-5,9-11H2,(H,22,24).
What are the key properties of 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridazine-4-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118740945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).