(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one

C27H24F3N5O — CID 58178772

IUPAC(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one
SMILESN[C@@H](Cc1ccc(F)cc1)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C27H24F3N5O/c28-19-5-1-17(2-6-19)15-23(31)27(36)34-13-14-35-24(16-34)33-25(18-3-7-20(29)8-4-18)26(35)32-22-11-9-21(30)10-12-22/h1-12,23,32H,13-16,31H2/t23-/m0/s1
InChIKeyROKDYEBLQXXHGO-QHCPKHFHSA-N
MW491.52 g/mol
LogP4.62
Rot. Bonds6

About (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one

(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one (PubChem CID 58178772) has the molecular formula C27H24F3N5O and a molecular weight of 491.52 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one
PubChem CID58178772
Molecular FormulaC27H24F3N5O
Molecular Weight491.52 g/mol
Exact Mass491.19
IUPAC Name(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one
SMILESN[C@@H](Cc1ccc(F)cc1)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C27H24F3N5O/c28-19-5-1-17(2-6-19)15-23(31)27(36)34-13-14-35-24(16-34)33-25(18-3-7-20(29)8-4-18)26(35)32-22-11-9-21(30)10-12-22/h1-12,23,32H,13-16,31H2/t23-/m0/s1
InChIKeyROKDYEBLQXXHGO-QHCPKHFHSA-N
XLogP4.62
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one (CID 58178772) is (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one is N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one?
The InChIKey is ROKDYEBLQXXHGO-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H24F3N5O/c28-19-5-1-17(2-6-19)15-23(31)27(36)34-13-14-35-24(16-34)33-25(18-3-7-20(29)8-4-18)26(35)32-22-11-9-21(30)10-12-22/h1-12,23,32H,13-16,31H2/t23-/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one?
(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one has a molecular weight of 491.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 58178772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).