4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine

C23H27N5O — CID 175560290

IUPAC4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine
SMILESCN1C(c2cccc3cc(N4CCOCC4)ncc23)=C2C=NCCN2C1C1CC1
InChIInChI=1S/C23H27N5O/c1-26-22(20-15-24-7-8-28(20)23(26)16-5-6-16)18-4-2-3-17-13-21(25-14-19(17)18)27-9-11-29-12-10-27/h2-4,13-16,23H,5-12H2,1H3
InChIKeyRXGLEMKSZYUXGA-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.81
Rot. Bonds3

About 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine

4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine (PubChem CID 175560290) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine
PubChem CID175560290
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine
SMILESCN1C(c2cccc3cc(N4CCOCC4)ncc23)=C2C=NCCN2C1C1CC1
InChIInChI=1S/C23H27N5O/c1-26-22(20-15-24-7-8-28(20)23(26)16-5-6-16)18-4-2-3-17-13-21(25-14-19(17)18)27-9-11-29-12-10-27/h2-4,13-16,23H,5-12H2,1H3
InChIKeyRXGLEMKSZYUXGA-UHFFFAOYSA-N
XLogP2.81
TPSA44.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine?
The IUPAC name of 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine (CID 175560290) is 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine.
What is the SMILES notation for 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine?
The canonical SMILES for 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine is CN1C(c2cccc3cc(N4CCOCC4)ncc23)=C2C=NCCN2C1C1CC1.
What is the InChIKey of 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine?
The InChIKey is RXGLEMKSZYUXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-26-22(20-15-24-7-8-28(20)23(26)16-5-6-16)18-4-2-3-17-13-21(25-14-19(17)18)27-9-11-29-12-10-27/h2-4,13-16,23H,5-12H2,1H3.
What are the key properties of 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine?
4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine has a molecular weight of 389.50 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-cyclopropyl-2-methyl-5,6-dihydro-3H-imidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]morpholine is sourced from PubChem (CID 175560290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).