8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one

C14H16BrClN4O — CID 118395019

IUPAC8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCC1=NNC(=O)C12CCN(c1c(Cl)cncc1Br)CC2
InChIInChI=1S/C14H16BrClN4O/c1-2-11-14(13(21)19-18-11)3-5-20(6-4-14)12-9(15)7-17-8-10(12)16/h7-8H,2-6H2,1H3,(H,19,21)
InChIKeyHXKLNPIRYSMRFA-UHFFFAOYSA-N
MW371.67 g/mol
LogP2.98
Rot. Bonds2

About 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one

8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 118395019) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID118395019
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC Name8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCC1=NNC(=O)C12CCN(c1c(Cl)cncc1Br)CC2
InChIInChI=1S/C14H16BrClN4O/c1-2-11-14(13(21)19-18-11)3-5-20(6-4-14)12-9(15)7-17-8-10(12)16/h7-8H,2-6H2,1H3,(H,19,21)
InChIKeyHXKLNPIRYSMRFA-UHFFFAOYSA-N
XLogP2.98
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

8-(3-Bromo-5-chloropyridin-4-yl)-1-(trifluoromethyl)-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118395032
1-(3-Bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
CID 118408029
8-(3-Bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408094
(3R)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408101
8-(3-Chloro-5-methyl-4-pyridinyl)-1-(trifluoromethyl)-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 123304019
(3S)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 129037606
1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide
CID 137411448
7-(3-Bromo-5-chloropyridin-4-yl)-2,7-diazaspiro[4.5]decan-1-one
CID 91928413
1-(3-Bromo-5-chloropyridin-4-yl)piperidine-4-carboxamide
CID 45274281
8-(3-Bromo-5-chloropyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 118395084
4-Amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 118395108
1-(3-Bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide
CID 118407961

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 118395019) is 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one is CCC1=NNC(=O)C12CCN(c1c(Cl)cncc1Br)CC2.
What is the InChIKey of 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is HXKLNPIRYSMRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-2-11-14(13(21)19-18-11)3-5-20(6-4-14)12-9(15)7-17-8-10(12)16/h7-8H,2-6H2,1H3,(H,19,21).
What are the key properties of 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 371.67 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 118395019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).