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

C25H29N5O2 — CID 139530483

IUPAC3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C25H29N5O2/c1-26-25(31)29-9-10-30-22(15-29)23(28-24(30)17-5-6-17)19-4-2-3-18-13-21(27-14-20(18)19)16-7-11-32-12-8-16/h2-4,13-14,16-17H,5-12,15H2,1H3,(H,26,31)
InChIKeyFPGKGMUMAMZCEJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.02
Rot. Bonds3

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

3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530483) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-cyclopropyl-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-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530483
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C25H29N5O2/c1-26-25(31)29-9-10-30-22(15-29)23(28-24(30)17-5-6-17)19-4-2-3-18-13-21(27-14-20(18)19)16-7-11-32-12-8-16/h2-4,13-14,16-17H,5-12,15H2,1H3,(H,26,31)
InChIKeyFPGKGMUMAMZCEJ-UHFFFAOYSA-N
XLogP4.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-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-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530483) is 3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.
What is the InChIKey of 3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is FPGKGMUMAMZCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-26-25(31)29-9-10-30-22(15-29)23(28-24(30)17-5-6-17)19-4-2-3-18-13-21(27-14-20(18)19)16-7-11-32-12-8-16/h2-4,13-14,16-17H,5-12,15H2,1H3,(H,26,31).
What are the key properties of 3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-cyclopropyl-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 431.54 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-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 139530483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).