1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

C26H28N4O2 — CID 157100458

IUPAC1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5=CCOCC5)ncc34)c2C1
InChIInChI=1S/C26H28N4O2/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17/h3-5,8,14-15,18H,2,6-7,9-13,16H2,1H3
InChIKeyGDBSRHBYOOOTST-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.53
Rot. Bonds4

About 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 157100458) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
PubChem CID157100458
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5=CCOCC5)ncc34)c2C1
InChIInChI=1S/C26H28N4O2/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17/h3-5,8,14-15,18H,2,6-7,9-13,16H2,1H3
InChIKeyGDBSRHBYOOOTST-UHFFFAOYSA-N
XLogP4.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(1-Phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate
CID 10692610
Ethyl 4-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-4-oxo-2-phenylbutanoate
CID 10836594
(Z)-4-methoxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 10716220
2-(4-cyclopropylimidazol-1-yl)-9-pyrazin-2-yl-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73336124
9-cyclopropyl-2-(4-pyridin-4-ylimidazol-1-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 89979992
9-(6-fluoro-3-pyridinyl)-2-[4-(2-methoxyethyl)imidazol-1-yl]-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 89980257
2-(4-cyclopropylimidazol-1-yl)-9-(6-methoxy-3-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 89980350
2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 91618213
2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 91618214
1,3-Dimethyl-5-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]pyridin-2-one
CID 117891941
1,3-dimethyl-5-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridin-2-one
CID 117891986
1,3-dimethyl-5-[6-(oxan-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]pyridin-2-one
CID 117891994

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 157100458) is 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5=CCOCC5)ncc34)c2C1.
What is the InChIKey of 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The InChIKey is GDBSRHBYOOOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17/h3-5,8,14-15,18H,2,6-7,9-13,16H2,1H3.
What are the key properties of 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 428.54 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 157100458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).