7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C27H31ClN4O — CID 71523177

IUPAC7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCC(NCCC2CNC(=O)c3cc(-c4cccc(Cl)c4)c(-c4ccccc4)n32)CC1
InChIInChI=1S/C27H31ClN4O/c1-31-14-11-22(12-15-31)29-13-10-23-18-30-27(33)25-17-24(20-8-5-9-21(28)16-20)26(32(23)25)19-6-3-2-4-7-19/h2-9,16-17,22-23,29H,10-15,18H2,1H3,(H,30,33)
InChIKeyNYWKJCDXGHLJAJ-UHFFFAOYSA-N
MW463.03 g/mol
LogP4.83
Rot. Bonds6

About 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71523177) has the molecular formula C27H31ClN4O and a molecular weight of 463.03 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71523177
Molecular FormulaC27H31ClN4O
Molecular Weight463.03 g/mol
Exact Mass462.22
IUPAC Name7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCC(NCCC2CNC(=O)c3cc(-c4cccc(Cl)c4)c(-c4ccccc4)n32)CC1
InChIInChI=1S/C27H31ClN4O/c1-31-14-11-22(12-15-31)29-13-10-23-18-30-27(33)25-17-24(20-8-5-9-21(28)16-20)26(32(23)25)19-6-3-2-4-7-19/h2-9,16-17,22-23,29H,10-15,18H2,1H3,(H,30,33)
InChIKeyNYWKJCDXGHLJAJ-UHFFFAOYSA-N
XLogP4.83
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-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 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71523177) is 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is CN1CCC(NCCC2CNC(=O)c3cc(-c4cccc(Cl)c4)c(-c4ccccc4)n32)CC1.
What is the InChIKey of 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is NYWKJCDXGHLJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O/c1-31-14-11-22(12-15-31)29-13-10-23-18-30-27(33)25-17-24(20-8-5-9-21(28)16-20)26(32(23)25)19-6-3-2-4-7-19/h2-9,16-17,22-23,29H,10-15,18H2,1H3,(H,30,33).
What are the key properties of 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 463.03 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71523177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).