(E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C28H30FN5O2 — CID 58613668

IUPAC(E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCc1c(CN(CCc2c[nH]c3cc(F)ccc23)C2CCc3cc(/C=C/C(=O)NO)ccc32)cnn1C
InChIInChI=1S/C28H30FN5O2/c1-18-22(16-31-33(18)2)17-34(12-11-21-15-30-26-14-23(29)6-8-24(21)26)27-9-5-20-13-19(3-7-25(20)27)4-10-28(35)32-36/h3-4,6-8,10,13-16,27,30,36H,5,9,11-12,17H2,1-2H3,(H,32,35)/b10-4+
InChIKeyUYQMKXPKXIHHRX-ONNFQVAWSA-N
MW487.58 g/mol
LogP4.60
Rot. Bonds8

About (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613668) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613668
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC Name(E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCc1c(CN(CCc2c[nH]c3cc(F)ccc23)C2CCc3cc(/C=C/C(=O)NO)ccc32)cnn1C
InChIInChI=1S/C28H30FN5O2/c1-18-22(16-31-33(18)2)17-34(12-11-21-15-30-26-14-23(29)6-8-24(21)26)27-9-5-20-13-19(3-7-25(20)27)4-10-28(35)32-36/h3-4,6-8,10,13-16,27,30,36H,5,9,11-12,17H2,1-2H3,(H,32,35)/b10-4+
InChIKeyUYQMKXPKXIHHRX-ONNFQVAWSA-N
XLogP4.60
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613668) is (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is Cc1c(CN(CCc2c[nH]c3cc(F)ccc23)C2CCc3cc(/C=C/C(=O)NO)ccc32)cnn1C.
What is the InChIKey of (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is UYQMKXPKXIHHRX-ONNFQVAWSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-18-22(16-31-33(18)2)17-34(12-11-21-15-30-26-14-23(29)6-8-24(21)26)27-9-5-20-13-19(3-7-25(20)27)4-10-28(35)32-36/h3-4,6-8,10,13-16,27,30,36H,5,9,11-12,17H2,1-2H3,(H,32,35)/b10-4+.
What are the key properties of (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 487.58 g/mol, XLogP of 4.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[(1,5-dimethylpyrazol-4-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).