8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one

C14H18BrClN4O — CID 118394961

IUPAC8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1(C)NC(=O)C2(CCN(c3c(Cl)cncc3Br)CC2)N1
InChIInChI=1S/C14H18BrClN4O/c1-13(2)18-12(21)14(19-13)3-5-20(6-4-14)11-9(15)7-17-8-10(11)16/h7-8,19H,3-6H2,1-2H3,(H,18,21)
InChIKeyKORCJQHIJVZNSC-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.29
Rot. Bonds1

About 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 118394961) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID118394961
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC Name8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1(C)NC(=O)C2(CCN(c3c(Cl)cncc3Br)CC2)N1
InChIInChI=1S/C14H18BrClN4O/c1-13(2)18-12(21)14(19-13)3-5-20(6-4-14)11-9(15)7-17-8-10(11)16/h7-8,19H,3-6H2,1-2H3,(H,18,21)
InChIKeyKORCJQHIJVZNSC-UHFFFAOYSA-N
XLogP2.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(5S)-3-[3-[(3-chloro-4-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 97221860
1-(3-Bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
CID 118408029
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-(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
8-(3-Bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 118394960
8-(3-Bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decane-1,4-dione
CID 118395001
8-(3-Bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118395059

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 118394961) is 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one is CC1(C)NC(=O)C2(CCN(c3c(Cl)cncc3Br)CC2)N1.
What is the InChIKey of 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is KORCJQHIJVZNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN4O/c1-13(2)18-12(21)14(19-13)3-5-20(6-4-14)11-9(15)7-17-8-10(11)16/h7-8,19H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(3-bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 373.68 g/mol, XLogP of 2.29, 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)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 118394961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).