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

C22H19ClF4N6O — CID 144756170

IUPAC(6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
SMILESC=C(Nc1ccc(F)c([C@]2(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/h3-9,30H,1,10-11H2,2H3,(H2,28,31)/t21-/m0/s1
InChIKeyYDFFEVDZHWDSFW-NRFANRHFSA-N
MW494.88 g/mol
LogP4.12
Rot. Bonds5

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

(6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 144756170) has the molecular formula C22H19ClF4N6O and a molecular weight of 494.88 g/mol. Its IUPAC name is (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID144756170
Molecular FormulaC22H19ClF4N6O
Molecular Weight494.88 g/mol
Exact Mass494.12
IUPAC Name(6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
SMILESC=C(Nc1ccc(F)c([C@]2(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/h3-9,30H,1,10-11H2,2H3,(H2,28,31)/t21-/m0/s1
InChIKeyYDFFEVDZHWDSFW-NRFANRHFSA-N
XLogP4.12
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-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

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
N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 121353289
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
CID 67984598
N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123998272
N-[3-(8-amino-6-methyl-5H-imidazo[1,5-a]pyrazin-6-yl)-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 123618518
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 72548199
tert-butyl N-[(6R)-2,3-dichloro-6-[5-[(5-chloropyridine-2-carbonyl)amino]-2-fluorophenyl]-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
CID 86699184
N-[3-[(2S)-6-amino-4-(2-fluoroethylimino)-2,5,5-trimethyl-3H-pyridin-2-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 144715667
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733
2-[3-(8-amino-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 159270180

Frequently Asked Questions

What is the IUPAC name of (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one (CID 144756170) is (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one is C=C(Nc1ccc(F)c([C@]2(C)Cn3c(cn(CC(F)(F)F)c3=O)C(N)=N2)c1)c1ccc(Cl)cn1.
What is the InChIKey of (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is YDFFEVDZHWDSFW-NRFANRHFSA-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/h3-9,30H,1,10-11H2,2H3,(H2,28,31)/t21-/m0/s1.
What are the key properties of (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one?
(6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-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 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 144756170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).