1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C26H27FN6O2 — CID 139570900

IUPAC1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C26H27FN6O2/c1-15-26(34)31(2)14-22-24(29-25(33(15)22)16-7-10-35-11-8-16)23-18-13-28-21(20-6-9-32(3)30-20)12-17(18)4-5-19(23)27/h4-6,9,12-13,15-16H,7-8,10-11,14H2,1-3H3
InChIKeyUMQADUCCACBHKD-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.06
Rot. Bonds3

About 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570900) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570900
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C26H27FN6O2/c1-15-26(34)31(2)14-22-24(29-25(33(15)22)16-7-10-35-11-8-16)23-18-13-28-21(20-6-9-32(3)30-20)12-17(18)4-5-19(23)27/h4-6,9,12-13,15-16H,7-8,10-11,14H2,1-3H3
InChIKeyUMQADUCCACBHKD-UHFFFAOYSA-N
XLogP4.06
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Related Compounds

1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 132209868
CID 130363544
CID 130363544
1-[(3R,5S)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-fluorophenyl]-3,5-dimethylpiperazin-1-yl]ethanone
CID 132210025
4-Acetyl-1-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3,3-dimethylpiperazin-2-one
CID 132210082
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
CID 53261787
US10023576, Example 65
CID 130362892
4-Acetyl-1-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-2-one
CID 130363656
CID 132186700
CID 132186700
CID 132186701
CID 132186701
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 118538796
(2S)-2-(methylamino)-N-[6-[2-(1-methylisoquinolin-6-yl)ethynyl]-5-[7-methyl-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]propanamide
CID 118863027
US9725449, Example 227
CID 122686350

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570900) is 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.
What is the InChIKey of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is UMQADUCCACBHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-15-26(34)31(2)14-22-24(29-25(33(15)22)16-7-10-35-11-8-16)23-18-13-28-21(20-6-9-32(3)30-20)12-17(18)4-5-19(23)27/h4-6,9,12-13,15-16H,7-8,10-11,14H2,1-3H3.
What are the key properties of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 474.54 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139570900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).