5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide

C22H26BrN5O3 — CID 141363452

IUPAC5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C22H26BrN5O3/c1-31-20-5-3-2-4-19(20)28-10-8-27(9-11-28)14-16(29)13-24-22(30)21-17-12-15(23)6-7-18(17)25-26-21/h2-7,12,16,29H,8-11,13-14H2,1H3,(H,24,30)(H,25,26)
InChIKeyUOCKJXWRHYAAIE-UHFFFAOYSA-N
MW488.39 g/mol
LogP2.25
Rot. Bonds7

About 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide

5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide (PubChem CID 141363452) has the molecular formula C22H26BrN5O3 and a molecular weight of 488.39 g/mol. Its IUPAC name is 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide
PubChem CID141363452
Molecular FormulaC22H26BrN5O3
Molecular Weight488.39 g/mol
Exact Mass487.12
IUPAC Name5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C22H26BrN5O3/c1-31-20-5-3-2-4-19(20)28-10-8-27(9-11-28)14-16(29)13-24-22(30)21-17-12-15(23)6-7-18(17)25-26-21/h2-7,12,16,29H,8-11,13-14H2,1H3,(H,24,30)(H,25,26)
InChIKeyUOCKJXWRHYAAIE-UHFFFAOYSA-N
XLogP2.25
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide (CID 141363452) is 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide is COc1ccccc1N1CCN(CC(O)CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide?
The InChIKey is UOCKJXWRHYAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN5O3/c1-31-20-5-3-2-4-19(20)28-10-8-27(9-11-28)14-16(29)13-24-22(30)21-17-12-15(23)6-7-18(17)25-26-21/h2-7,12,16,29H,8-11,13-14H2,1H3,(H,24,30)(H,25,26).
What are the key properties of 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide?
5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide has a molecular weight of 488.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 141363452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).