9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate

C25H20N4O4 — CID 169470373

IUPAC9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1[nH]nc2c([N+](=O)[O-])cccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20N4O4/c30-25(26-14-6-12-22-20-11-5-13-23(29(31)32)24(20)28-27-22)33-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21H,14-15H2,(H,26,30)(H,27,28)
InChIKeyMLLUPGNETLVXBM-UHFFFAOYSA-N
MW440.46 g/mol
LogP5.02
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate (PubChem CID 169470373) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate
PubChem CID169470373
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1[nH]nc2c([N+](=O)[O-])cccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20N4O4/c30-25(26-14-6-12-22-20-11-5-13-23(29(31)32)24(20)28-27-22)33-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21H,14-15H2,(H,26,30)(H,27,28)
InChIKeyMLLUPGNETLVXBM-UHFFFAOYSA-N
XLogP5.02
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate 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

5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-nitrobenzoic acid
CID 169470442
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]carbamate
CID 169469969
9H-fluoren-9-ylmethyl N-[3-(3-hydroxy-4-nitrophenyl)prop-2-enyl]carbamate
CID 169470028
9H-fluoren-9-ylmethyl N-[3-(4-methylsulfonyl-2-nitrophenyl)prop-2-enyl]carbamate
CID 169470486
9H-fluoren-9-ylmethyl N-[3-[1-(2-nitrophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169470552
9H-fluoren-9-ylmethyl N-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)prop-2-enyl]carbamate
CID 169469927
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
CID 169468972
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-4-hydroxy-5-nitrophenyl)prop-2-enyl]carbamate
CID 169470233
3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol
CID 169454030
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-4-methyl-5-nitrophenyl)prop-2-enyl]carbamate
CID 169470197
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-nitro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469901
9H-fluoren-9-ylmethyl N-[3-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470492

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate (CID 169470373) is 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1[nH]nc2c([N+](=O)[O-])cccc12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate?
The InChIKey is MLLUPGNETLVXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c30-25(26-14-6-12-22-20-11-5-13-23(29(31)32)24(20)28-27-22)33-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21H,14-15H2,(H,26,30)(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate has a molecular weight of 440.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).