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

C27H33N5O3 — CID 139530342

IUPACN-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H33N5O3/c1-28-27(33)31-9-10-32-24(17-31)25(30-26(32)19-7-13-35-14-8-19)21-4-2-3-20-15-23(29-16-22(20)21)18-5-11-34-12-6-18/h2-4,15-16,18-19H,5-14,17H2,1H3,(H,28,33)
InChIKeyAIXBEHKQFWXIME-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.04
Rot. Bonds3

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

N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530342) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530342
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H33N5O3/c1-28-27(33)31-9-10-32-24(17-31)25(30-26(32)19-7-13-35-14-8-19)21-4-2-3-20-15-23(29-16-22(20)21)18-5-11-34-12-6-18/h2-4,15-16,18-19H,5-14,17H2,1H3,(H,28,33)
InChIKeyAIXBEHKQFWXIME-UHFFFAOYSA-N
XLogP4.04
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530342) is N-methyl-3-(oxan-4-yl)-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 N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.
What is the InChIKey of N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is AIXBEHKQFWXIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-28-27(33)31-9-10-32-24(17-31)25(30-26(32)19-7-13-35-14-8-19)21-4-2-3-20-15-23(29-16-22(20)21)18-5-11-34-12-6-18/h2-4,15-16,18-19H,5-14,17H2,1H3,(H,28,33).
What are the key properties of N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).