3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C25H28F2N6O2 — CID 139530318

IUPAC3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C25H28F2N6O2/c1-28-24(34)32-5-6-33-20(15-32)22(30-23(33)17-12-25(26,27)13-17)18-4-2-3-16-11-21(29-14-19(16)18)31-7-9-35-10-8-31/h2-4,11,14,17H,5-10,12-13,15H2,1H3,(H,28,34)
InChIKeyNSRYAMDGKGYPHL-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.60
Rot. Bonds3

About 3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530318) has the molecular formula C25H28F2N6O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530318
Molecular FormulaC25H28F2N6O2
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Name3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C25H28F2N6O2/c1-28-24(34)32-5-6-33-20(15-32)22(30-23(33)17-12-25(26,27)13-17)18-4-2-3-16-11-21(29-14-19(16)18)31-7-9-35-10-8-31/h2-4,11,14,17H,5-10,12-13,15H2,1H3,(H,28,34)
InChIKeyNSRYAMDGKGYPHL-UHFFFAOYSA-N
XLogP3.60
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-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-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530318) is 3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-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-morpholin-4-ylisoquinolin-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-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NSRYAMDGKGYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O2/c1-28-24(34)32-5-6-33-20(15-32)22(30-23(33)17-12-25(26,27)13-17)18-4-2-3-16-11-21(29-14-19(16)18)31-7-9-35-10-8-31/h2-4,11,14,17H,5-10,12-13,15H2,1H3,(H,28,34).
What are the key properties of 3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.60, 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-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).