N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide

C23H18BrClN4O4 — CID 127027353

IUPACN'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccncc1Br
InChIInChI=1S/C23H18BrClN4O4/c1-32-17-9-18(33-2)20(23(31)29-28-22(30)14-7-8-26-11-16(14)24)21-19(17)15(10-27-21)12-3-5-13(25)6-4-12/h3-11,27H,1-2H3,(H,28,30)(H,29,31)
InChIKeyMBMLZKVRCKZHKV-UHFFFAOYSA-N
MW529.78 g/mol
LogP4.74
Rot. Bonds5

About N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide

N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide (PubChem CID 127027353) has the molecular formula C23H18BrClN4O4 and a molecular weight of 529.78 g/mol. Its IUPAC name is N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide
PubChem CID127027353
Molecular FormulaC23H18BrClN4O4
Molecular Weight529.78 g/mol
Exact Mass528.02
IUPAC NameN'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccncc1Br
InChIInChI=1S/C23H18BrClN4O4/c1-32-17-9-18(33-2)20(23(31)29-28-22(30)14-7-8-26-11-16(14)24)21-19(17)15(10-27-21)12-3-5-13(25)6-4-12/h3-11,27H,1-2H3,(H,28,30)(H,29,31)
InChIKeyMBMLZKVRCKZHKV-UHFFFAOYSA-N
XLogP4.74
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.78
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide?
The IUPAC name of N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide (CID 127027353) is N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide.
What is the SMILES notation for N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide?
The canonical SMILES for N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide is COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccncc1Br.
What is the InChIKey of N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide?
The InChIKey is MBMLZKVRCKZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN4O4/c1-32-17-9-18(33-2)20(23(31)29-28-22(30)14-7-8-26-11-16(14)24)21-19(17)15(10-27-21)12-3-5-13(25)6-4-12/h3-11,27H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide?
N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide has a molecular weight of 529.78 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide is sourced from PubChem (CID 127027353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).