7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C26H25ClFN5O3 — CID 118935717

IUPAC7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(=O)N1CCn2c(C(=O)N(C(C(N)=O)c3ccccc3)[C@@H]3CCc4c(F)cc(Cl)cc43)cnc2C1
InChIInChI=1S/C26H25ClFN5O3/c1-15(34)31-9-10-32-22(13-30-23(32)14-31)26(36)33(24(25(29)35)16-5-3-2-4-6-16)21-8-7-18-19(21)11-17(27)12-20(18)28/h2-6,11-13,21,24H,7-10,14H2,1H3,(H2,29,35)/t21-,24?/m1/s1
InChIKeyDLXHZIQIMXFFII-CILPGNKCSA-N
MW509.97 g/mol
LogP3.39
Rot. Bonds5

About 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 118935717) has the molecular formula C26H25ClFN5O3 and a molecular weight of 509.97 g/mol. Its IUPAC name is 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID118935717
Molecular FormulaC26H25ClFN5O3
Molecular Weight509.97 g/mol
Exact Mass509.16
IUPAC Name7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(=O)N1CCn2c(C(=O)N(C(C(N)=O)c3ccccc3)[C@@H]3CCc4c(F)cc(Cl)cc43)cnc2C1
InChIInChI=1S/C26H25ClFN5O3/c1-15(34)31-9-10-32-22(13-30-23(32)14-31)26(36)33(24(25(29)35)16-5-3-2-4-6-16)21-8-7-18-19(21)11-17(27)12-20(18)28/h2-6,11-13,21,24H,7-10,14H2,1H3,(H2,29,35)/t21-,24?/m1/s1
InChIKeyDLXHZIQIMXFFII-CILPGNKCSA-N
XLogP3.39
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.97
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 118935717) is 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CC(=O)N1CCn2c(C(=O)N(C(C(N)=O)c3ccccc3)[C@@H]3CCc4c(F)cc(Cl)cc43)cnc2C1.
What is the InChIKey of 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is DLXHZIQIMXFFII-CILPGNKCSA-N. The full InChI is InChI=1S/C26H25ClFN5O3/c1-15(34)31-9-10-32-22(13-30-23(32)14-31)26(36)33(24(25(29)35)16-5-3-2-4-6-16)21-8-7-18-19(21)11-17(27)12-20(18)28/h2-6,11-13,21,24H,7-10,14H2,1H3,(H2,29,35)/t21-,24?/m1/s1.
What are the key properties of 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 509.97 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118935717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).