3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C28H33F2N5O2 — CID 139530498

IUPAC3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C28H33F2N5O2/c1-31-27(36)34-11-12-35-24(17-34)25(33-26(35)19-5-9-28(29,30)10-6-19)21-4-2-3-20-15-23(32-16-22(20)21)18-7-13-37-14-8-18/h2-4,15-16,18-19H,5-14,17H2,1H3,(H,31,36)
InChIKeyAKRHDYDFEYNGMI-UHFFFAOYSA-N
MW509.60 g/mol
LogP5.44
Rot. Bonds3

About 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530498) has the molecular formula C28H33F2N5O2 and a molecular weight of 509.60 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530498
Molecular FormulaC28H33F2N5O2
Molecular Weight509.60 g/mol
Exact Mass509.26
IUPAC Name3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C28H33F2N5O2/c1-31-27(36)34-11-12-35-24(17-34)25(33-26(35)19-5-9-28(29,30)10-6-19)21-4-2-3-20-15-23(32-16-22(20)21)18-7-13-37-14-8-18/h2-4,15-16,18-19H,5-14,17H2,1H3,(H,31,36)
InChIKeyAKRHDYDFEYNGMI-UHFFFAOYSA-N
XLogP5.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-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-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530498) is 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is AKRHDYDFEYNGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N5O2/c1-31-27(36)34-11-12-35-24(17-34)25(33-26(35)19-5-9-28(29,30)10-6-19)21-4-2-3-20-15-23(32-16-22(20)21)18-7-13-37-14-8-18/h2-4,15-16,18-19H,5-14,17H2,1H3,(H,31,36).
What are the key properties of 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 509.60 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).