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

C32H34F2N6O2 — CID 58179212

IUPACN-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C[C@H](N)C(=O)N2CCn3c(nc(-c4cccc(F)c4)c3Nc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C32H34F2N6O2/c1-2-3-7-29(41)36-25-12-8-21(9-13-25)18-27(35)32(42)39-16-17-40-28(20-39)38-30(22-5-4-6-24(34)19-22)31(40)37-26-14-10-23(33)11-15-26/h4-6,8-15,19,27,37H,2-3,7,16-18,20,35H2,1H3,(H,36,41)/t27-/m0/s1
InChIKeyQNCKSSKSZOFJNX-MHZLTWQESA-N
MW572.66 g/mol
LogP5.61
Rot. Bonds10

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

N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide (PubChem CID 58179212) has the molecular formula C32H34F2N6O2 and a molecular weight of 572.66 g/mol. Its IUPAC name is N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide
PubChem CID58179212
Molecular FormulaC32H34F2N6O2
Molecular Weight572.66 g/mol
Exact Mass572.27
IUPAC NameN-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C[C@H](N)C(=O)N2CCn3c(nc(-c4cccc(F)c4)c3Nc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C32H34F2N6O2/c1-2-3-7-29(41)36-25-12-8-21(9-13-25)18-27(35)32(42)39-16-17-40-28(20-39)38-30(22-5-4-6-24(34)19-22)31(40)37-26-14-10-23(33)11-15-26/h4-6,8-15,19,27,37H,2-3,7,16-18,20,35H2,1H3,(H,36,41)/t27-/m0/s1
InChIKeyQNCKSSKSZOFJNX-MHZLTWQESA-N
XLogP5.61
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide?
The IUPAC name of N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide (CID 58179212) is N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C[C@H](N)C(=O)N2CCn3c(nc(-c4cccc(F)c4)c3Nc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide?
The InChIKey is QNCKSSKSZOFJNX-MHZLTWQESA-N. The full InChI is InChI=1S/C32H34F2N6O2/c1-2-3-7-29(41)36-25-12-8-21(9-13-25)18-27(35)32(42)39-16-17-40-28(20-39)38-30(22-5-4-6-24(34)19-22)31(40)37-26-14-10-23(33)11-15-26/h4-6,8-15,19,27,37H,2-3,7,16-18,20,35H2,1H3,(H,36,41)/t27-/m0/s1.
What are the key properties of N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide?
N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide has a molecular weight of 572.66 g/mol, XLogP of 5.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide is sourced from PubChem (CID 58179212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).