1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C22H27BrN4O2 — CID 55790886

IUPAC1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2
InChIInChI=1S/C22H27BrN4O2/c23-16-7-6-8-17(15-16)27-19-10-4-3-9-18(19)21(25-27)22(29)24-12-14-26-13-5-1-2-11-20(26)28/h6-8,15H,1-5,9-14H2,(H,24,29)
InChIKeyIEJNXJMTRZTFDN-UHFFFAOYSA-N
MW459.39 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 55790886) has the molecular formula C22H27BrN4O2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID55790886
Molecular FormulaC22H27BrN4O2
Molecular Weight459.39 g/mol
Exact Mass458.13
IUPAC Name1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2
InChIInChI=1S/C22H27BrN4O2/c23-16-7-6-8-17(15-16)27-19-10-4-3-9-18(19)21(25-27)22(29)24-12-14-26-13-5-1-2-11-20(26)28/h6-8,15H,1-5,9-14H2,(H,24,29)
InChIKeyIEJNXJMTRZTFDN-UHFFFAOYSA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-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

N-(2-aminoethyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 119384062
1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119504417
N-(3-aminopropyl)-1-(3-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119409052
1-(3-bromophenyl)-N-(2-methylsulfonylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71889495
1-(3-bromophenyl)-N-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 78886335
N-(2-amino-2-methylpropyl)-1-(3-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119630738
1-(3-bromophenyl)-N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120831720
1-(3-bromophenyl)-N-(1-carbamoylcyclohexyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 112845631
1-(3-bromophenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119429284
ethyl 4-[[1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 55789318
1-(3-bromophenyl)-N-(1H-pyrazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 52783747
1-(3-bromophenyl)-N-(oxan-3-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 56559244

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 55790886) is 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(NCCN1CCCCCC1=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is IEJNXJMTRZTFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN4O2/c23-16-7-6-8-17(15-16)27-19-10-4-3-9-18(19)21(25-27)22(29)24-12-14-26-13-5-1-2-11-20(26)28/h6-8,15H,1-5,9-14H2,(H,24,29).
What are the key properties of 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 459.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 55790886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).