2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone

C23H23ClFN5O — CID 123895133

IUPAC2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)CN)C3(C)C)cc1Cl
InChIInChI=1S/C23H23ClFN5O/c1-14-4-9-17(12-18(14)24)27-21-20(15-5-7-16(25)8-6-15)28-22-23(2,3)30(19(31)13-26)11-10-29(21)22/h4-12,27H,13,26H2,1-3H3
InChIKeyXOXQWSMPKVXSBB-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.86
Rot. Bonds4

About 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone

2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 123895133) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID123895133
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC Name2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)CN)C3(C)C)cc1Cl
InChIInChI=1S/C23H23ClFN5O/c1-14-4-9-17(12-18(14)24)27-21-20(15-5-7-16(25)8-6-15)28-22-23(2,3)30(19(31)13-26)11-10-29(21)22/h4-12,27H,13,26H2,1-3H3
InChIKeyXOXQWSMPKVXSBB-UHFFFAOYSA-N
XLogP4.86
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone 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-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone (CID 123895133) is 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)CN)C3(C)C)cc1Cl.
What is the InChIKey of 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is XOXQWSMPKVXSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c1-14-4-9-17(12-18(14)24)27-21-20(15-5-7-16(25)8-6-15)28-22-23(2,3)30(19(31)13-26)11-10-29(21)22/h4-12,27H,13,26H2,1-3H3.
What are the key properties of 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone?
2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 439.92 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(3-chloro-4-methylanilino)-2-(4-fluorophenyl)-8,8-dimethylimidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 123895133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).