3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C25H25F2N7O — CID 139530515

IUPAC3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(-c5ccn(C)n5)ncc34)c2C1
InChIInChI=1S/C25H25F2N7O/c1-28-24(35)33-8-9-34-21(14-33)22(30-23(34)16-11-25(26,27)12-16)17-5-3-4-15-10-20(29-13-18(15)17)19-6-7-32(2)31-19/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,28,35)
InChIKeyAEFWBUKOTZGUDX-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.17
Rot. Bonds3

About 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530515) has the molecular formula C25H25F2N7O and a molecular weight of 477.52 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530515
Molecular FormulaC25H25F2N7O
Molecular Weight477.52 g/mol
Exact Mass477.21
IUPAC Name3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(-c5ccn(C)n5)ncc34)c2C1
InChIInChI=1S/C25H25F2N7O/c1-28-24(35)33-8-9-34-21(14-33)22(30-23(34)16-11-25(26,27)12-16)17-5-3-4-15-10-20(29-13-18(15)17)19-6-7-32(2)31-19/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,28,35)
InChIKeyAEFWBUKOTZGUDX-UHFFFAOYSA-N
XLogP4.17
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-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-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530515) is 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(-c5ccn(C)n5)ncc34)c2C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is AEFWBUKOTZGUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O/c1-28-24(35)33-8-9-34-21(14-33)22(30-23(34)16-11-25(26,27)12-16)17-5-3-4-15-10-20(29-13-18(15)17)19-6-7-32(2)31-19/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,28,35).
What are the key properties of 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).