N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane

C32H40F3N7O6 — CID 144699439

IUPACN-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane
SMILESCCC.NC(=O)CCC(NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cnn(-c2ccccc2)c1)C(O)C(F)(F)F
InChIInChI=1S/C29H32F3N7O6.C3H8/c30-29(31,32)26(43)21(11-12-23(33)40)37-24(41)16-35-28(45)22(13-18-7-3-1-4-8-18)38-25(42)15-34-27(44)19-14-36-39(17-19)20-9-5-2-6-10-20;1-3-2/h1-10,14,17,21-22,26,43H,11-13,15-16H2,(H2,33,40)(H,34,44)(H,35,45)(H,37,41)(H,38,42);3H2,1-2H3/t21?,22-,26?;/m0./s1
InChIKeyLFAFFQBWFDSTHV-UZEPCSOYSA-N
MW675.71 g/mol
LogP1.54
Rot. Bonds15

About N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane

N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane (PubChem CID 144699439) has the molecular formula C32H40F3N7O6 and a molecular weight of 675.71 g/mol. Its IUPAC name is N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane.

Molecular Properties

Compound NameN-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane
PubChem CID144699439
Molecular FormulaC32H40F3N7O6
Molecular Weight675.71 g/mol
Exact Mass675.30
IUPAC NameN-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane
SMILESCCC.NC(=O)CCC(NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cnn(-c2ccccc2)c1)C(O)C(F)(F)F
InChIInChI=1S/C29H32F3N7O6.C3H8/c30-29(31,32)26(43)21(11-12-23(33)40)37-24(41)16-35-28(45)22(13-18-7-3-1-4-8-18)38-25(42)15-34-27(44)19-14-36-39(17-19)20-9-5-2-6-10-20;1-3-2/h1-10,14,17,21-22,26,43H,11-13,15-16H2,(H2,33,40)(H,34,44)(H,35,45)(H,37,41)(H,38,42);3H2,1-2H3/t21?,22-,26?;/m0./s1
InChIKeyLFAFFQBWFDSTHV-UZEPCSOYSA-N
XLogP1.54
TPSA197.54 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.71
LogP ≤ 51.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane with MolForge

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Related Compounds

N-[2-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-(hydroxymethyl)benzamide
CID 144699378
N-[2-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-(4-methylsulfanylphenyl)benzamide
CID 144699370
N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane
CID 144699304
(2S)-N-[(2S)-6-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-3,6-dioxo-1-phenylhexan-2-yl]-4-oxo-4-(4-phenylphenyl)-2-propan-2-ylbutanamide
CID 158639531
methyl-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]azanium;propane;6,6,6-trifluoro-4-[(2-formamidoacetyl)amino]-5-hydroxyhexanamide
CID 144699276
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-(4-fluorophenyl)benzamide
CID 86300947
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[1-[[1-[[1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)carbamoyl]cyclopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 123531410
[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamothioic S-acid
CID 118700038
2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219117
2-[[5-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
CID 18235496
(5S)-N-(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)-2,2-dimethyl-4-oxo-5-[[(2S)-4-oxo-4-(4-phenylphenyl)-2-propan-2-ylbutanoyl]amino]-6-phenylhexanamide
CID 162251685

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane?
The IUPAC name of N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane (CID 144699439) is N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane.
What is the SMILES notation for N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane?
The canonical SMILES for N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane is CCC.NC(=O)CCC(NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cnn(-c2ccccc2)c1)C(O)C(F)(F)F.
What is the InChIKey of N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane?
The InChIKey is LFAFFQBWFDSTHV-UZEPCSOYSA-N. The full InChI is InChI=1S/C29H32F3N7O6.C3H8/c30-29(31,32)26(43)21(11-12-23(33)40)37-24(41)16-35-28(45)22(13-18-7-3-1-4-8-18)38-25(42)15-34-27(44)19-14-36-39(17-19)20-9-5-2-6-10-20;1-3-2/h1-10,14,17,21-22,26,43H,11-13,15-16H2,(H2,33,40)(H,34,44)(H,35,45)(H,37,41)(H,38,42);3H2,1-2H3/t21?,22-,26?;/m0./s1.
What are the key properties of N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane?
N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane has a molecular weight of 675.71 g/mol, XLogP of 1.54, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-[[2-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide;propane is sourced from PubChem (CID 144699439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).