2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one

C21H21Cl2FN6O2 — CID 24985057

IUPAC2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one
SMILESO=C(c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F)N1CCC2(CCNC2)CC1
InChIInChI=1S/C21H21Cl2FN6O2/c22-16-17(23)30-18(26-16)15(27-28-20(30)32)10-12-1-2-14(24)13(9-12)19(31)29-7-4-21(5-8-29)3-6-25-11-21/h1-2,9,25H,3-8,10-11H2,(H,28,32)
InChIKeyUDASQCIZOAOAGZ-UHFFFAOYSA-N
MW479.34 g/mol
LogP2.67
Rot. Bonds3

About 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one

2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one (PubChem CID 24985057) has the molecular formula C21H21Cl2FN6O2 and a molecular weight of 479.34 g/mol. Its IUPAC name is 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one.

Molecular Properties

Compound Name2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one
PubChem CID24985057
Molecular FormulaC21H21Cl2FN6O2
Molecular Weight479.34 g/mol
Exact Mass478.11
IUPAC Name2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one
SMILESO=C(c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F)N1CCC2(CCNC2)CC1
InChIInChI=1S/C21H21Cl2FN6O2/c22-16-17(23)30-18(26-16)15(27-28-20(30)32)10-12-1-2-14(24)13(9-12)19(31)29-7-4-21(5-8-29)3-6-25-11-21/h1-2,9,25H,3-8,10-11H2,(H,28,32)
InChIKeyUDASQCIZOAOAGZ-UHFFFAOYSA-N
XLogP2.67
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one with MolForge

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Related Compounds

8-[[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2,3-dichloro-6H-imidazo[1,2-d][1,2,4]triazin-5-one
CID 24985399
2,3-dichloro-8-[[4-fluoro-3-[3-(trifluoromethyl)-1,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-7-carbonyl]phenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one
CID 87461643
[1-[1-[5-[(2,3-dichloro-5-oxo-6H-imidazo[1,2-d][1,2,4]triazin-8-yl)methyl]-2-fluorobenzoyl]piperidin-4-yl]pyrrolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 87462359
[4-[5-[(2,3-dichloro-5-oxo-6H-imidazo[1,2-d][1,2,4]triazin-8-yl)methyl]-2-fluorobenzoyl]-1-isoquinolin-3-ylpiperazin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 87461898
[5-[5-[(2,3-dichloro-5-oxo-6H-imidazo[1,2-d][1,2,4]triazin-8-yl)methyl]-2-fluorobenzoyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methyl 2,2,2-trifluoroacetate
CID 87463435
8-[[3-[(1S,4S)-2-aza-5-azoniabicyclo[2.2.1]heptane-2-carbonyl]-4-fluorophenyl]methyl]-2,3-dichloro-6H-imidazo[1,2-d][1,2,4]triazin-5-one;2,2,2-trifluoroacetate
CID 87462159
(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 117044861
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
4-[[3-[4-[2-(3,9-diazaspiro[5.5]undecan-3-yl)acetyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 176578873
4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 11726399
6,7-dichloro-4-[[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid
CID 171926988
4-[[4-fluoro-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
CID 161356670

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one?
The IUPAC name of 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one (CID 24985057) is 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one.
What is the SMILES notation for 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one?
The canonical SMILES for 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one is O=C(c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F)N1CCC2(CCNC2)CC1.
What is the InChIKey of 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one?
The InChIKey is UDASQCIZOAOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN6O2/c22-16-17(23)30-18(26-16)15(27-28-20(30)32)10-12-1-2-14(24)13(9-12)19(31)29-7-4-21(5-8-29)3-6-25-11-21/h1-2,9,25H,3-8,10-11H2,(H,28,32).
What are the key properties of 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one?
2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one has a molecular weight of 479.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-8-[[3-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-fluorophenyl]methyl]-6H-imidazo[1,2-d][1,2,4]triazin-5-one is sourced from PubChem (CID 24985057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).