9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate

C26H24N4O6 — CID 171887794

IUPAC9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1[nH]nc2cc([N+](=O)[O-])ccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N4O6/c31-23(25(32)24-20-10-9-15(30(34)35)13-22(20)28-29-24)11-12-27-26(33)36-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,13,21,23,25,31-32H,11-12,14H2,(H,27,33)(H,28,29)
InChIKeyQHNUMVBRWRJVCK-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.79
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate (PubChem CID 171887794) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate
PubChem CID171887794
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1[nH]nc2cc([N+](=O)[O-])ccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N4O6/c31-23(25(32)24-20-10-9-15(30(34)35)13-22(20)28-29-24)11-12-27-26(33)36-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,13,21,23,25,31-32H,11-12,14H2,(H,27,33)(H,28,29)
InChIKeyQHNUMVBRWRJVCK-UHFFFAOYSA-N
XLogP3.79
TPSA150.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]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

9H-fluoren-9-ylmethyl N-[4-(6-nitro-2H-indazol-3-yl)but-3-ynyl]carbamate
CID 170461887
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
CID 170834333
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(5-nitro-1H-imidazol-4-yl)butyl]carbamate
CID 171886444
9H-fluoren-9-ylmethyl N-[4-(6-amino-2-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171887354
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[3-nitro-5-(trifluoromethyl)phenyl]butyl]carbamate
CID 171887598
9H-fluoren-9-ylmethyl N-[4-(2H-benzotriazol-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886818
9H-fluoren-9-ylmethyl N-[4-(6-cyano-5-nitro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171887356
9H-fluoren-9-ylmethyl N-[4-(2-amino-5-methoxy-3-nitrophenyl)-3,4-dihydroxybutyl]carbamate
CID 171887536
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate
CID 170834163
9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886285
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate (CID 171887794) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate is O=C(NCCC(O)C(O)c1[nH]nc2cc([N+](=O)[O-])ccc12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate?
The InChIKey is QHNUMVBRWRJVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6/c31-23(25(32)24-20-10-9-15(30(34)35)13-22(20)28-29-24)11-12-27-26(33)36-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,13,21,23,25,31-32H,11-12,14H2,(H,27,33)(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate?
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate has a molecular weight of 488.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate is sourced from PubChem (CID 171887794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).