9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate

C58H49N5O6 — CID 159658992

IUPAC9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(Cc1ccccc1)C(=O)Cc1ccc(COc2c(Cc3ccco3)nc3c(Cc4ccccc4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C58H49N5O6/c64-54(50(31-39-15-4-1-5-16-39)61-55(65)35-59-58(66)69-38-49-47-24-12-10-22-45(47)46-23-11-13-25-48(46)49)33-41-26-28-42(29-27-41)37-68-57-52(34-44-21-14-30-67-44)62-56-51(32-40-17-6-2-7-18-40)60-53(36-63(56)57)43-19-8-3-9-20-43/h1-30,36,49-50H,31-35,37-38H2,(H,59,66)(H,61,65)
InChIKeyLBIJKSFMKQGEHH-UHFFFAOYSA-N
MW912.06 g/mol
LogP10.13
Rot. Bonds18

About 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 159658992) has the molecular formula C58H49N5O6 and a molecular weight of 912.06 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID159658992
Molecular FormulaC58H49N5O6
Molecular Weight912.06 g/mol
Exact Mass911.37
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(Cc1ccccc1)C(=O)Cc1ccc(COc2c(Cc3ccco3)nc3c(Cc4ccccc4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C58H49N5O6/c64-54(50(31-39-15-4-1-5-16-39)61-55(65)35-59-58(66)69-38-49-47-24-12-10-22-45(47)46-23-11-13-25-48(46)49)33-41-26-28-42(29-27-41)37-68-57-52(34-44-21-14-30-67-44)62-56-51(32-40-17-6-2-7-18-40)60-53(36-63(56)57)43-19-8-3-9-20-43/h1-30,36,49-50H,31-35,37-38H2,(H,59,66)(H,61,65)
InChIKeyLBIJKSFMKQGEHH-UHFFFAOYSA-N
XLogP10.13
TPSA137.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.06
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoic acid
CID 14259874
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 162640819
2-[[[2-[[(2S)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]acetic acid
CID 142536946
3-[[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid
CID 175534304
tert-butyl 3-[8-benzyl-2-(furan-2-ylmethyl)-3-hydroxyimidazo[1,2-a]pyrazin-6-yl]benzoate
CID 137316658
benzyl 1-[[[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]cyclopropane-1-carboxylate
CID 171052923
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
CID 100994235
benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 11094236
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate
CID 75488005
3-[3,5-bis(phenylmethoxy)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882239
CID 175564084
CID 175564084
9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
CID 2451967

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate (CID 159658992) is 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(Cc1ccccc1)C(=O)Cc1ccc(COc2c(Cc3ccco3)nc3c(Cc4ccccc4)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is LBIJKSFMKQGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49N5O6/c64-54(50(31-39-15-4-1-5-16-39)61-55(65)35-59-58(66)69-38-49-47-24-12-10-22-45(47)46-23-11-13-25-48(46)49)33-41-26-28-42(29-27-41)37-68-57-52(34-44-21-14-30-67-44)62-56-51(32-40-17-6-2-7-18-40)60-53(36-63(56)57)43-19-8-3-9-20-43/h1-30,36,49-50H,31-35,37-38H2,(H,59,66)(H,61,65).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 912.06 g/mol, XLogP of 10.13, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[[4-[4-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 159658992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).