2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone

C32H33FN4O — CID 58178799

IUPAC2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(c2ccccc2)C2CCCC2)C3)cc1
InChIInChI=1S/C32H33FN4O/c1-22-11-17-27(18-12-22)34-31-30(25-13-15-26(33)16-14-25)35-28-21-36(19-20-37(28)31)32(38)29(24-9-5-6-10-24)23-7-3-2-4-8-23/h2-4,7-8,11-18,24,29,34H,5-6,9-10,19-21H2,1H3
InChIKeyOIUJRGKGLWYBFA-UHFFFAOYSA-N
MW508.64 g/mol
LogP7.06
Rot. Bonds6

About 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone

2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone (PubChem CID 58178799) has the molecular formula C32H33FN4O and a molecular weight of 508.64 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone
PubChem CID58178799
Molecular FormulaC32H33FN4O
Molecular Weight508.64 g/mol
Exact Mass508.26
IUPAC Name2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(c2ccccc2)C2CCCC2)C3)cc1
InChIInChI=1S/C32H33FN4O/c1-22-11-17-27(18-12-22)34-31-30(25-13-15-26(33)16-14-25)35-28-21-36(19-20-37(28)31)32(38)29(24-9-5-6-10-24)23-7-3-2-4-8-23/h2-4,7-8,11-18,24,29,34H,5-6,9-10,19-21H2,1H3
InChIKeyOIUJRGKGLWYBFA-UHFFFAOYSA-N
XLogP7.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone 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-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone (CID 58178799) is 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(c2ccccc2)C2CCCC2)C3)cc1.
What is the InChIKey of 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone?
The InChIKey is OIUJRGKGLWYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O/c1-22-11-17-27(18-12-22)34-31-30(25-13-15-26(33)16-14-25)35-28-21-36(19-20-37(28)31)32(38)29(24-9-5-6-10-24)23-7-3-2-4-8-23/h2-4,7-8,11-18,24,29,34H,5-6,9-10,19-21H2,1H3.
What are the key properties of 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone?
2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone has a molecular weight of 508.64 g/mol, XLogP of 7.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-phenylethanone is sourced from PubChem (CID 58178799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).