N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C32H43FN6O4 — CID 177368897

IUPACN-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(=O)N[C@H](C(=O)N[C@@H]1CCc2cc(NC(=O)[C@@H](NC(=O)c3ccnn3C(C)C)C(C3CC3)C3CC3)ccc21)C(C)(C)F
InChIInChI=1S/C32H43FN6O4/c1-17(2)39-25(14-15-34-39)29(41)38-27(26(19-6-7-19)20-8-9-20)30(42)36-22-11-12-23-21(16-22)10-13-24(23)37-31(43)28(32(4,5)33)35-18(3)40/h11-12,14-17,19-20,24,26-28H,6-10,13H2,1-5H3,(H,35,40)(H,36,42)(H,37,43)(H,38,41)/t24-,27+,28-/m1/s1
InChIKeyNHVNLEYPLNYFMX-FQLPYIGMSA-N
MW594.73 g/mol
LogP3.99
Rot. Bonds12

About N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368897) has the molecular formula C32H43FN6O4 and a molecular weight of 594.73 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID177368897
Molecular FormulaC32H43FN6O4
Molecular Weight594.73 g/mol
Exact Mass594.33
IUPAC NameN-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(=O)N[C@H](C(=O)N[C@@H]1CCc2cc(NC(=O)[C@@H](NC(=O)c3ccnn3C(C)C)C(C3CC3)C3CC3)ccc21)C(C)(C)F
InChIInChI=1S/C32H43FN6O4/c1-17(2)39-25(14-15-34-39)29(41)38-27(26(19-6-7-19)20-8-9-20)30(42)36-22-11-12-23-21(16-22)10-13-24(23)37-31(43)28(32(4,5)33)35-18(3)40/h11-12,14-17,19-20,24,26-28H,6-10,13H2,1-5H3,(H,35,40)(H,36,42)(H,37,43)(H,38,41)/t24-,27+,28-/m1/s1
InChIKeyNHVNLEYPLNYFMX-FQLPYIGMSA-N
XLogP3.99
TPSA134.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.73
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide 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

N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368906
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368727
N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-2,3-dimethylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368532
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[2-(trifluoromethoxy)ethylcarbamoyl]-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368889
N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368662
N-[1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(2,2,2-trifluoroethylcarbamoyl)-3,4-dihydro-1H-isochromen-6-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368785
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(3S)-3-[[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]amino]-2,3-dihydro-1-benzofuran-6-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368922
(2R)-2-acetamido-N-[(1R)-5-[[(2S)-3,3-dicyclopropyl-2-[[hydroxy-(2-propan-2-ylpyrazol-3-yl)methyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-1-yl]-4,4,4-trifluorobutanamide
CID 177368700
N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368818
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(3-oxo-2,4-diazabicyclo[3.1.1]heptan-2-yl)-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368438
N-[(2S)-1-[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368745
tert-butyl 5-[[(2S)-3,3-dicyclopropyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]propanoyl]amino]-1-(2,2,2-trifluoroethylcarbamoyl)-1,3-dihydroisoindole-2-carboxylate
CID 177368584

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368897) is N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(=O)N[C@H](C(=O)N[C@@H]1CCc2cc(NC(=O)[C@@H](NC(=O)c3ccnn3C(C)C)C(C3CC3)C3CC3)ccc21)C(C)(C)F.
What is the InChIKey of N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is NHVNLEYPLNYFMX-FQLPYIGMSA-N. The full InChI is InChI=1S/C32H43FN6O4/c1-17(2)39-25(14-15-34-39)29(41)38-27(26(19-6-7-19)20-8-9-20)30(42)36-22-11-12-23-21(16-22)10-13-24(23)37-31(43)28(32(4,5)33)35-18(3)40/h11-12,14-17,19-20,24,26-28H,6-10,13H2,1-5H3,(H,35,40)(H,36,42)(H,37,43)(H,38,41)/t24-,27+,28-/m1/s1.
What are the key properties of N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 594.73 g/mol, XLogP of 3.99, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).