8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one

C22H19ClF4N6O — CID 123369920

IUPAC8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
SMILESC/C(=N\c1ccc(F)c(C2(C)Cn3c(cn(CC(F)(F)F)c3=O)C(N)=N2)c1)c1ccc(Cl)cn1
InChIInChI=1S/C22H19ClF4N6O/c1-12(17-6-3-13(23)8-29-17)30-14-4-5-16(24)15(7-14)21(2)10-33-18(19(28)31-21)9-32(20(33)34)11-22(25,26)27/h3-9H,10-11H2,1-2H3,(H2,28,31)/b30-12+
InChIKeyDSWOSQONVJKFDY-PNQUVVCRSA-N
MW494.88 g/mol
LogP4.17
Rot. Bonds4

About 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one

8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 123369920) has the molecular formula C22H19ClF4N6O and a molecular weight of 494.88 g/mol. Its IUPAC name is 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID123369920
Molecular FormulaC22H19ClF4N6O
Molecular Weight494.88 g/mol
Exact Mass494.12
IUPAC Name8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
SMILESC/C(=N\c1ccc(F)c(C2(C)Cn3c(cn(CC(F)(F)F)c3=O)C(N)=N2)c1)c1ccc(Cl)cn1
InChIInChI=1S/C22H19ClF4N6O/c1-12(17-6-3-13(23)8-29-17)30-14-4-5-16(24)15(7-14)21(2)10-33-18(19(28)31-21)9-32(20(33)34)11-22(25,26)27/h3-9H,10-11H2,1-2H3,(H2,28,31)/b30-12+
InChIKeyDSWOSQONVJKFDY-PNQUVVCRSA-N
XLogP4.17
TPSA90.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclohexylurea
CID 16739945
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-3-cyclopentylurea
CID 16740005
N-[4-(Trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037649
1-[(1S)-1-(5-chloropyridin-2-yl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920059
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea
CID 58920071
1-[1-(5-Chloropyridin-2-yl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920153
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(4,4-difluorocyclohexyl)urea
CID 58920226
1-Cyclopentyl-3-[alpha-(5-chloro-2-pyridinyl)-alpha-benzyl-3-fluoro-5-(trifluoromethyl)benzyl]urea
CID 58920248
1-[(1S)-1-(5-chloropyridin-2-yl)-2-(4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920676
1-((S)-1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-3-(3,3-difluorocyclopentyl)urea
CID 58920695
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(2,2-difluorocyclohexyl)urea
CID 58921113
1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(3,3-difluorocyclopentyl)urea
CID 58921128

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one (CID 123369920) is 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one is C/C(=N\c1ccc(F)c(C2(C)Cn3c(cn(CC(F)(F)F)c3=O)C(N)=N2)c1)c1ccc(Cl)cn1.
What is the InChIKey of 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is DSWOSQONVJKFDY-PNQUVVCRSA-N. The full InChI is InChI=1S/C22H19ClF4N6O/c1-12(17-6-3-13(23)8-29-17)30-14-4-5-16(24)15(7-14)21(2)10-33-18(19(28)31-21)9-32(20(33)34)11-22(25,26)27/h3-9H,10-11H2,1-2H3,(H2,28,31)/b30-12+.
What are the key properties of 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 494.88 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethylideneamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 123369920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).