N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide

C27H30Cl2N4O2 — CID 23633262

IUPACN-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide
SMILESCOc1ccc(-c2c3c(nn2-c2ccc(Cl)cc2Cl)C(C(=O)NN2CCCCCC2)CCC3)cc1
InChIInChI=1S/C27H30Cl2N4O2/c1-35-20-12-9-18(10-13-20)26-21-7-6-8-22(27(34)31-32-15-4-2-3-5-16-32)25(21)30-33(26)24-14-11-19(28)17-23(24)29/h9-14,17,22H,2-8,15-16H2,1H3,(H,31,34)
InChIKeyXDIPFMIKCCISMT-UHFFFAOYSA-N
MW513.47 g/mol
LogP6.18
Rot. Bonds5

About N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide

N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide (PubChem CID 23633262) has the molecular formula C27H30Cl2N4O2 and a molecular weight of 513.47 g/mol. Its IUPAC name is N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide.

Molecular Properties

Compound NameN-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide
PubChem CID23633262
Molecular FormulaC27H30Cl2N4O2
Molecular Weight513.47 g/mol
Exact Mass512.17
IUPAC NameN-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide
SMILESCOc1ccc(-c2c3c(nn2-c2ccc(Cl)cc2Cl)C(C(=O)NN2CCCCCC2)CCC3)cc1
InChIInChI=1S/C27H30Cl2N4O2/c1-35-20-12-9-18(10-13-20)26-21-7-6-8-22(27(34)31-32-15-4-2-3-5-16-32)25(21)30-33(26)24-14-11-19(28)17-23(24)29/h9-14,17,22H,2-8,15-16H2,1H3,(H,31,34)
InChIKeyXDIPFMIKCCISMT-UHFFFAOYSA-N
XLogP6.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide
CID 59464401
3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
CID 23633537
(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
CID 23633680
(7S)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-7-carboxamide
CID 23633330
N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 10886022
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965086
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl] formate
CID 162713247
methyl 2-[[3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 23634337
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183

Frequently Asked Questions

What is the IUPAC name of N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide?
The IUPAC name of N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide (CID 23633262) is N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide.
What is the SMILES notation for N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide?
The canonical SMILES for N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide is COc1ccc(-c2c3c(nn2-c2ccc(Cl)cc2Cl)C(C(=O)NN2CCCCCC2)CCC3)cc1.
What is the InChIKey of N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide?
The InChIKey is XDIPFMIKCCISMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N4O2/c1-35-20-12-9-18(10-13-20)26-21-7-6-8-22(27(34)31-32-15-4-2-3-5-16-32)25(21)30-33(26)24-14-11-19(28)17-23(24)29/h9-14,17,22H,2-8,15-16H2,1H3,(H,31,34).
What are the key properties of N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide?
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide has a molecular weight of 513.47 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide is sourced from PubChem (CID 23633262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).