8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one

C12H14BrClN4O — CID 118394960

IUPAC8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCNC12CCN(c1c(Cl)cncc1Br)CC2
InChIInChI=1S/C12H14BrClN4O/c13-8-5-15-6-9(14)10(8)18-3-1-12(2-4-18)11(19)16-7-17-12/h5-6,17H,1-4,7H2,(H,16,19)
InChIKeyWWWQWQLECCSIHV-UHFFFAOYSA-N
MW345.63 g/mol
LogP1.51
Rot. Bonds1

About 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 118394960) has the molecular formula C12H14BrClN4O and a molecular weight of 345.63 g/mol. Its IUPAC name is 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID118394960
Molecular FormulaC12H14BrClN4O
Molecular Weight345.63 g/mol
Exact Mass344.00
IUPAC Name8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCNC12CCN(c1c(Cl)cncc1Br)CC2
InChIInChI=1S/C12H14BrClN4O/c13-8-5-15-6-9(14)10(8)18-3-1-12(2-4-18)11(19)16-7-17-12/h5-6,17H,1-4,7H2,(H,16,19)
InChIKeyWWWQWQLECCSIHV-UHFFFAOYSA-N
XLogP1.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.63
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
(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
8-(3-Chloro-5-fluoro-4-pyridinyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 139017441
1-(3-Bromo-5-chloropyridin-4-yl)piperidine-4-carboxamide
CID 45274281
8-(3,5-Dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 45275575
8-(2-Amino-5-bromo-3-chloropyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90111976
9-(2-Amino-5-bromo-3-chloropyridin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 90112526
1-(2-Amino-5-bromo-3-chloro-4-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 90113151

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 118394960) is 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCNC12CCN(c1c(Cl)cncc1Br)CC2.
What is the InChIKey of 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is WWWQWQLECCSIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O/c13-8-5-15-6-9(14)10(8)18-3-1-12(2-4-18)11(19)16-7-17-12/h5-6,17H,1-4,7H2,(H,16,19).
What are the key properties of 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 345.63 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 118394960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).