4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile

C22H20ClF3N6O2 — CID 175486146

IUPAC4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile
SMILESCC1CN(C(=O)c2c(Cl)c(-c3ccc(C#N)cc3)nn2C)Cc2cnc(C(O)(CF)C(F)F)n21
InChIInChI=1S/C22H20ClF3N6O2/c1-12-9-31(10-15-8-28-21(32(12)15)22(34,11-24)20(25)26)19(33)18-16(23)17(29-30(18)2)14-5-3-13(7-27)4-6-14/h3-6,8,12,20,34H,9-11H2,1-2H3
InChIKeyRPSLGASXRONXOW-UHFFFAOYSA-N
MW492.89 g/mol
LogP3.45
Rot. Bonds5

About 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile

4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile (PubChem CID 175486146) has the molecular formula C22H20ClF3N6O2 and a molecular weight of 492.89 g/mol. Its IUPAC name is 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile
PubChem CID175486146
Molecular FormulaC22H20ClF3N6O2
Molecular Weight492.89 g/mol
Exact Mass492.13
IUPAC Name4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile
SMILESCC1CN(C(=O)c2c(Cl)c(-c3ccc(C#N)cc3)nn2C)Cc2cnc(C(O)(CF)C(F)F)n21
InChIInChI=1S/C22H20ClF3N6O2/c1-12-9-31(10-15-8-28-21(32(12)15)22(34,11-24)20(25)26)19(33)18-16(23)17(29-30(18)2)14-5-3-13(7-27)4-6-14/h3-6,8,12,20,34H,9-11H2,1-2H3
InChIKeyRPSLGASXRONXOW-UHFFFAOYSA-N
XLogP3.45
TPSA99.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile?
The IUPAC name of 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile (CID 175486146) is 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile?
The canonical SMILES for 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile is CC1CN(C(=O)c2c(Cl)c(-c3ccc(C#N)cc3)nn2C)Cc2cnc(C(O)(CF)C(F)F)n21.
What is the InChIKey of 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile?
The InChIKey is RPSLGASXRONXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6O2/c1-12-9-31(10-15-8-28-21(32(12)15)22(34,11-24)20(25)26)19(33)18-16(23)17(29-30(18)2)14-5-3-13(7-27)4-6-14/h3-6,8,12,20,34H,9-11H2,1-2H3.
What are the key properties of 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile?
4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile has a molecular weight of 492.89 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-1-methyl-5-[5-methyl-3-(1,1,3-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]benzonitrile is sourced from PubChem (CID 175486146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).