(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C48H48N12O2 — CID 158719416

IUPAC(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21
InChIInChI=1S/2C24H24N6O/c2*1-14-24(31)28(2)13-21-22(27-23(30(14)21)15-7-8-15)18-6-4-5-16-9-20(25-11-19(16)18)17-10-26-29(3)12-17/h2*4-6,9-12,14-15H,7-8,13H2,1-3H3/t2*14-/m10/s1
InChIKeyIJSKNEPGHZOEJK-IKFJUQJOSA-N
MW824.99 g/mol
LogP7.82
Rot. Bonds6

About (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 158719416) has the molecular formula C48H48N12O2 and a molecular weight of 824.99 g/mol. Its IUPAC name is (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID158719416
Molecular FormulaC48H48N12O2
Molecular Weight824.99 g/mol
Exact Mass824.40
IUPAC Name(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21
InChIInChI=1S/2C24H24N6O/c2*1-14-24(31)28(2)13-21-22(27-23(30(14)21)15-7-8-15)18-6-4-5-16-9-20(25-11-19(16)18)17-10-26-29(3)12-17/h2*4-6,9-12,14-15H,7-8,13H2,1-3H3/t2*14-/m10/s1
InChIKeyIJSKNEPGHZOEJK-IKFJUQJOSA-N
XLogP7.82
TPSA137.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.99
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

(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
US10899769, Example 110b
CID 139558435
US11058688, Example 72
CID 139530517
US10899769, Example 81
CID 139558231
US10899769, Example 7
CID 139558267
US10899769, Example 97
CID 139558275
US10899769, Example 79
CID 139558291
US10899769, Example 80
CID 139558334
US10899769, Example 91a
CID 139558391
US10899769, Example 61
CID 139558405
US10899769, Example 108
CID 139558432
US10899769, Example 60
CID 139558438

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 158719416) is (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21.
What is the InChIKey of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is IJSKNEPGHZOEJK-IKFJUQJOSA-N. The full InChI is InChI=1S/2C24H24N6O/c2*1-14-24(31)28(2)13-21-22(27-23(30(14)21)15-7-8-15)18-6-4-5-16-9-20(25-11-19(16)18)17-10-26-29(3)12-17/h2*4-6,9-12,14-15H,7-8,13H2,1-3H3/t2*14-/m10/s1.
What are the key properties of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 824.99 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 158719416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).