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

C25H25BrCl2N4O — CID 23633537

IUPAC3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
SMILESO=C(NN1CCCCC1)C1CCCc2c1nn(-c1ccc(Cl)cc1Cl)c2-c1ccc(Br)cc1
InChIInChI=1S/C25H25BrCl2N4O/c26-17-9-7-16(8-10-17)24-19-5-4-6-20(25(33)30-31-13-2-1-3-14-31)23(19)29-32(24)22-12-11-18(27)15-21(22)28/h7-12,15,20H,1-6,13-14H2,(H,30,33)
InChIKeyRLIVDMULXMMENL-UHFFFAOYSA-N
MW548.31 g/mol
LogP6.55
Rot. Bonds4

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

3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide (PubChem CID 23633537) has the molecular formula C25H25BrCl2N4O and a molecular weight of 548.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
PubChem CID23633537
Molecular FormulaC25H25BrCl2N4O
Molecular Weight548.31 g/mol
Exact Mass546.06
IUPAC Name3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
SMILESO=C(NN1CCCCC1)C1CCCc2c1nn(-c1ccc(Cl)cc1Cl)c2-c1ccc(Br)cc1
InChIInChI=1S/C25H25BrCl2N4O/c26-17-9-7-16(8-10-17)24-19-5-4-6-20(25(33)30-31-13-2-1-3-14-31)23(19)29-32(24)22-12-11-18(27)15-21(22)28/h7-12,15,20H,1-6,13-14H2,(H,30,33)
InChIKeyRLIVDMULXMMENL-UHFFFAOYSA-N
XLogP6.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.31
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
CID 23633680
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazole-7-carboxamide
CID 23633262
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
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxamide
CID 123755410
(7S)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-7-carboxamide
CID 23633330
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 10886022
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide (CID 23633537) is 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide is O=C(NN1CCCCC1)C1CCCc2c1nn(-c1ccc(Cl)cc1Cl)c2-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
The InChIKey is RLIVDMULXMMENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrCl2N4O/c26-17-9-7-16(8-10-17)24-19-5-4-6-20(25(33)30-31-13-2-1-3-14-31)23(19)29-32(24)22-12-11-18(27)15-21(22)28/h7-12,15,20H,1-6,13-14H2,(H,30,33).
What are the key properties of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide has a molecular weight of 548.31 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide is sourced from PubChem (CID 23633537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).