N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C28H31N5O2 — CID 76838014

IUPACN-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESCn1cc(CN(CCc2cn(C)c3ccccc23)C2CCc3cc(C=CC(=O)NO)ccc32)cn1
InChIInChI=1S/C28H31N5O2/c1-31-19-23(24-5-3-4-6-26(24)31)13-14-33(18-21-16-29-32(2)17-21)27-11-9-22-15-20(7-10-25(22)27)8-12-28(34)30-35/h3-8,10,12,15-17,19,27,35H,9,11,13-14,18H2,1-2H3,(H,30,34)
InChIKeyROXUXKHGYNYTEF-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.16
Rot. Bonds8

About N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 76838014) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID76838014
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESCn1cc(CN(CCc2cn(C)c3ccccc23)C2CCc3cc(C=CC(=O)NO)ccc32)cn1
InChIInChI=1S/C28H31N5O2/c1-31-19-23(24-5-3-4-6-26(24)31)13-14-33(18-21-16-29-32(2)17-21)27-11-9-22-15-20(7-10-25(22)27)8-12-28(34)30-35/h3-8,10,12,15-17,19,27,35H,9,11,13-14,18H2,1-2H3,(H,30,34)
InChIKeyROXUXKHGYNYTEF-UHFFFAOYSA-N
XLogP4.16
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-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

Related Compounds

methyl 3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76838524
3-[1-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838838
3-[1-[(4,5-dichloro-1H-pyrrol-2-yl)methyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838537
N-hydroxy-3-[1-[2-(6-methyl-1H-indol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838520
methyl (E)-3-[1-[2-(1H-indol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 58614190
3-[1-[2-[1-(2-amino-2-oxoethyl)indol-3-yl]ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838121
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613820
methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 58613870
(E)-N-hydroxy-3-[(1R)-1-[(4-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922900
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(methylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614330
3-[1-[[4-[(ethylcarbamoylamino)methyl]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838816
N-hydroxy-3-[1-[(2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838938

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 76838014) is N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is Cn1cc(CN(CCc2cn(C)c3ccccc23)C2CCc3cc(C=CC(=O)NO)ccc32)cn1.
What is the InChIKey of N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is ROXUXKHGYNYTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-31-19-23(24-5-3-4-6-26(24)31)13-14-33(18-21-16-29-32(2)17-21)27-11-9-22-15-20(7-10-25(22)27)8-12-28(34)30-35/h3-8,10,12,15-17,19,27,35H,9,11,13-14,18H2,1-2H3,(H,30,34).
What are the key properties of N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 469.59 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 76838014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).