3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide

C21H19BrN4O2 — CID 55854489

IUPAC3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(OCCn3cccn3)c2)c(Br)c2ccccc21
InChIInChI=1S/C21H19BrN4O2/c1-25-18-9-3-2-8-17(18)19(22)20(25)21(27)24-15-6-4-7-16(14-15)28-13-12-26-11-5-10-23-26/h2-11,14H,12-13H2,1H3,(H,24,27)
InChIKeyIABJWSLRTHOPFB-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.47
Rot. Bonds6

About 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide

3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide (PubChem CID 55854489) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
PubChem CID55854489
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC Name3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(OCCn3cccn3)c2)c(Br)c2ccccc21
InChIInChI=1S/C21H19BrN4O2/c1-25-18-9-3-2-8-17(18)19(22)20(25)21(27)24-15-6-4-7-16(14-15)28-13-12-26-11-5-10-23-26/h2-11,14H,12-13H2,1H3,(H,24,27)
InChIKeyIABJWSLRTHOPFB-UHFFFAOYSA-N
XLogP4.47
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide 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

4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55968651
methyl 2-ethyl-4-methyl-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55767652
1-(4-chlorophenyl)-5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 78901983
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide (CID 55854489) is 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2cccc(OCCn3cccn3)c2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide?
The InChIKey is IABJWSLRTHOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-25-18-9-3-2-8-17(18)19(22)20(25)21(27)24-15-6-4-7-16(14-15)28-13-12-26-11-5-10-23-26/h2-11,14H,12-13H2,1H3,(H,24,27).
What are the key properties of 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide?
3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide is sourced from PubChem (CID 55854489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).