2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone

C23H26FN5O — CID 57495913

IUPAC2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC(C)(C)N(C(=O)CN)C3)cc1
InChIInChI=1S/C23H26FN5O/c1-15-4-10-18(11-5-15)26-22-21(16-6-8-17(24)9-7-16)27-19-13-29(20(30)12-25)23(2,3)14-28(19)22/h4-11,26H,12-14,25H2,1-3H3
InChIKeySKGXKJYXJLGFKP-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.82
Rot. Bonds4

About 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone

2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 57495913) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID57495913
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC(C)(C)N(C(=O)CN)C3)cc1
InChIInChI=1S/C23H26FN5O/c1-15-4-10-18(11-5-15)26-22-21(16-6-8-17(24)9-7-16)27-19-13-29(20(30)12-25)23(2,3)14-28(19)22/h4-11,26H,12-14,25H2,1-3H3
InChIKeySKGXKJYXJLGFKP-UHFFFAOYSA-N
XLogP3.82
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone (CID 57495913) is 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC(C)(C)N(C(=O)CN)C3)cc1.
What is the InChIKey of 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is SKGXKJYXJLGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-15-4-10-18(11-5-15)26-22-21(16-6-8-17(24)9-7-16)27-19-13-29(20(30)12-25)23(2,3)14-28(19)22/h4-11,26H,12-14,25H2,1-3H3.
What are the key properties of 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone?
2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 407.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-fluorophenyl)-6,6-dimethyl-3-(4-methylanilino)-5,8-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 57495913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).