2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one

C24H22N6O — CID 91618214

IUPAC2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
SMILESCc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1
InChIInChI=1S/C24H22N6O/c1-15-10-26-20(11-25-15)18-3-2-4-19-17(18)7-8-30-22(19)9-23(27-12-24(30)31)29-13-21(28-14-29)16-5-6-16/h2-4,9-11,13-14,16H,5-8,12H2,1H3
InChIKeyJEJVVFXHKUDHMW-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.21
Rot. Bonds2

About 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one

2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one (PubChem CID 91618214) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one.

Molecular Properties

Compound Name2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
PubChem CID91618214
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
SMILESCc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1
InChIInChI=1S/C24H22N6O/c1-15-10-26-20(11-25-15)18-3-2-4-19-17(18)7-8-30-22(19)9-23(27-12-24(30)31)29-13-21(28-14-29)16-5-6-16/h2-4,9-11,13-14,16H,5-8,12H2,1H3
InChIKeyJEJVVFXHKUDHMW-UHFFFAOYSA-N
XLogP3.21
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The IUPAC name of 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) is 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one.
What is the SMILES notation for 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The canonical SMILES for 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one is Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1.
What is the InChIKey of 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The InChIKey is JEJVVFXHKUDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-15-10-26-20(11-25-15)18-3-2-4-19-17(18)7-8-30-22(19)9-23(27-12-24(30)31)29-13-21(28-14-29)16-5-6-16/h2-4,9-11,13-14,16H,5-8,12H2,1H3.
What are the key properties of 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one has a molecular weight of 410.48 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylimidazol-1-yl)-9-(5-methylpyrazin-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one is sourced from PubChem (CID 91618214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).