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

C27H32FN5O3 — CID 139530352

IUPAC1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H32FN5O3/c1-29-27(34)32-8-9-33-23(16-32)25(31-26(33)18-6-12-36-13-7-18)24-20-15-30-22(17-4-10-35-11-5-17)14-19(20)2-3-21(24)28/h2-3,14-15,17-18H,4-13,16H2,1H3,(H,29,34)
InChIKeyNFYZPGNEBRELTJ-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.18
Rot. Bonds3

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

1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530352) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530352
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H32FN5O3/c1-29-27(34)32-8-9-33-23(16-32)25(31-26(33)18-6-12-36-13-7-18)24-20-15-30-22(17-4-10-35-11-5-17)14-19(20)2-3-21(24)28/h2-3,14-15,17-18H,4-13,16H2,1H3,(H,29,34)
InChIKeyNFYZPGNEBRELTJ-UHFFFAOYSA-N
XLogP4.18
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530352) is 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(C5CCOCC5)ncc34)c2C1.
What is the InChIKey of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NFYZPGNEBRELTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-29-27(34)32-8-9-33-23(16-32)25(31-26(33)18-6-12-36-13-7-18)24-20-15-30-22(17-4-10-35-11-5-17)14-19(20)2-3-21(24)28/h2-3,14-15,17-18H,4-13,16H2,1H3,(H,29,34).
What are the key properties of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).