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

C28H29FN4O2 — CID 58613594

IUPAC(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCc1[nH]ccc1CN(CCc1c[nH]c2cc(F)ccc12)C1CCc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C28H29FN4O2/c1-18-22(10-12-30-18)17-33(13-11-21-16-31-26-15-23(29)5-7-24(21)26)27-8-4-20-14-19(2-6-25(20)27)3-9-28(34)32-35/h2-3,5-7,9-10,12,14-16,27,30-31,35H,4,8,11,13,17H2,1H3,(H,32,34)/b9-3+
InChIKeyDJCZCNVOPFKCGV-YCRREMRBSA-N
MW472.56 g/mol
LogP5.19
Rot. Bonds8

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

(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613594) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613594
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCc1[nH]ccc1CN(CCc1c[nH]c2cc(F)ccc12)C1CCc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C28H29FN4O2/c1-18-22(10-12-30-18)17-33(13-11-21-16-31-26-15-23(29)5-7-24(21)26)27-8-4-20-14-19(2-6-25(20)27)3-9-28(34)32-35/h2-3,5-7,9-10,12,14-16,27,30-31,35H,4,8,11,13,17H2,1H3,(H,32,34)/b9-3+
InChIKeyDJCZCNVOPFKCGV-YCRREMRBSA-N
XLogP5.19
TPSA84.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]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-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613594) is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is Cc1[nH]ccc1CN(CCc1c[nH]c2cc(F)ccc12)C1CCc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is DJCZCNVOPFKCGV-YCRREMRBSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-18-22(10-12-30-18)17-33(13-11-21-16-31-26-15-23(29)5-7-24(21)26)27-8-4-20-14-19(2-6-25(20)27)3-9-28(34)32-35/h2-3,5-7,9-10,12,14-16,27,30-31,35H,4,8,11,13,17H2,1H3,(H,32,34)/b9-3+.
What are the key properties of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 472.56 g/mol, XLogP of 5.19, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-[(2-methyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).