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

C25H26N6O — CID 139571098

IUPAC(5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)[C@@H]5C)c3cn2)nc1C
InChIInChI=1S/C25H26N6O/c1-14-12-30(28-15(14)2)22-10-18-6-5-7-19(20(18)11-26-22)23-21-13-29(4)25(32)16(3)31(21)24(27-23)17-8-9-17/h5-7,10-12,16-17H,8-9,13H2,1-4H3/t16-/m0/s1
InChIKeyRKCDVGZWRITJMS-INIZCTEOSA-N
MW426.52 g/mol
LogP4.31
Rot. Bonds3

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

(5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139571098) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139571098
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name(5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)[C@@H]5C)c3cn2)nc1C
InChIInChI=1S/C25H26N6O/c1-14-12-30(28-15(14)2)22-10-18-6-5-7-19(20(18)11-26-22)23-21-13-29(4)25(32)16(3)31(21)24(27-23)17-8-9-17/h5-7,10-12,16-17H,8-9,13H2,1-4H3/t16-/m0/s1
InChIKeyRKCDVGZWRITJMS-INIZCTEOSA-N
XLogP4.31
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139558316
(5S)-3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139571003
methyl 5-[8-[5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]pyridine-2-carboxylate
CID 171809849
3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139558457
(5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 148986513
(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 148986514
(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 159474570
dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-(3-isocyanoisoquinolin-8-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;3-isocyano-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;methane;oxido formate
CID 159904265
1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139558391
5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
CID 139558393
5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile
CID 139570894
(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 155769074

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139571098) is (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1cn(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)[C@@H]5C)c3cn2)nc1C.
What is the InChIKey of (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is RKCDVGZWRITJMS-INIZCTEOSA-N. The full InChI is InChI=1S/C25H26N6O/c1-14-12-30(28-15(14)2)22-10-18-6-5-7-19(20(18)11-26-22)23-21-13-29(4)25(32)16(3)31(21)24(27-23)17-8-9-17/h5-7,10-12,16-17H,8-9,13H2,1-4H3/t16-/m0/s1.
What are the key properties of (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 426.52 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139571098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).