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

C23H24ClF2N5O — CID 70684254

IUPAC2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCC(C)[C@H]1c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN
InChIInChI=1S/C23H24ClF2N5O/c1-13(2)21-23-29-20(14-3-5-15(25)6-4-14)22(28-16-7-8-18(26)17(24)11-16)31(23)10-9-30(21)19(32)12-27/h3-8,11,13,21,28H,9-10,12,27H2,1-2H3/t21-/m0/s1
InChIKeySOMKGSRZWDCYHI-NRFANRHFSA-N
MW459.93 g/mol
LogP4.72
Rot. Bonds5

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

2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 70684254) has the molecular formula C23H24ClF2N5O and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID70684254
Molecular FormulaC23H24ClF2N5O
Molecular Weight459.93 g/mol
Exact Mass459.16
IUPAC Name2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCC(C)[C@H]1c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN
InChIInChI=1S/C23H24ClF2N5O/c1-13(2)21-23-29-20(14-3-5-15(25)6-4-14)22(28-16-7-8-18(26)17(24)11-16)31(23)10-9-30(21)19(32)12-27/h3-8,11,13,21,28H,9-10,12,27H2,1-2H3/t21-/m0/s1
InChIKeySOMKGSRZWDCYHI-NRFANRHFSA-N
XLogP4.72
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 70684254) is 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is CC(C)[C@H]1c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN.
What is the InChIKey of 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is SOMKGSRZWDCYHI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24ClF2N5O/c1-13(2)21-23-29-20(14-3-5-15(25)6-4-14)22(28-16-7-8-18(26)17(24)11-16)31(23)10-9-30(21)19(32)12-27/h3-8,11,13,21,28H,9-10,12,27H2,1-2H3/t21-/m0/s1.
What are the key properties of 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 459.93 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(8S)-3-(3-chloro-4-fluoroanilino)-2-(4-fluorophenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 70684254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).