3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C21H27ClFN5O2 — CID 66931794

IUPAC3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1nc(-c2ccc(Cl)c(F)c2)n2c1CN(C)CC2
InChIInChI=1S/C21H27ClFN5O2/c1-12(2)9-16(20(29)24-3)25-21(30)18-17-11-27(4)7-8-28(17)19(26-18)13-5-6-14(22)15(23)10-13/h5-6,10,12,16H,7-9,11H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyZAXBHZJDEPEXRL-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.68
Rot. Bonds6

About 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66931794) has the molecular formula C21H27ClFN5O2 and a molecular weight of 435.93 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66931794
Molecular FormulaC21H27ClFN5O2
Molecular Weight435.93 g/mol
Exact Mass435.18
IUPAC Name3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1nc(-c2ccc(Cl)c(F)c2)n2c1CN(C)CC2
InChIInChI=1S/C21H27ClFN5O2/c1-12(2)9-16(20(29)24-3)25-21(30)18-17-11-27(4)7-8-28(17)19(26-18)13-5-6-14(22)15(23)10-13/h5-6,10,12,16H,7-9,11H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyZAXBHZJDEPEXRL-UHFFFAOYSA-N
XLogP2.68
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide 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 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 66931794) is 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)C(CC(C)C)NC(=O)c1nc(-c2ccc(Cl)c(F)c2)n2c1CN(C)CC2.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is ZAXBHZJDEPEXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClFN5O2/c1-12(2)9-16(20(29)24-3)25-21(30)18-17-11-27(4)7-8-28(17)19(26-18)13-5-6-14(22)15(23)10-13/h5-6,10,12,16H,7-9,11H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 435.93 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-7-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66931794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).