2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone

C22H22N4O3 — CID 67089995

IUPAC2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C22H22N4O3/c27-15-21(28)25-11-13-26(14-12-25)22(29)17-8-5-16(6-9-17)7-10-20-18-3-1-2-4-19(18)23-24-20/h1-10,27H,11-15H2,(H,23,24)/b10-7+
InChIKeyBJOAGGJGDHYXLD-JXMROGBWSA-N
MW390.44 g/mol
LogP2.01
Rot. Bonds4

About 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone

2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 67089995) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone
PubChem CID67089995
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C22H22N4O3/c27-15-21(28)25-11-13-26(14-12-25)22(29)17-8-5-16(6-9-17)7-10-20-18-3-1-2-4-19(18)23-24-20/h1-10,27H,11-15H2,(H,23,24)/b10-7+
InChIKeyBJOAGGJGDHYXLD-JXMROGBWSA-N
XLogP2.01
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

Kw-2449
CID 11427553
5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
CID 71680628
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 2595305
1H-indazol-3-yl(morpholin-4-yl)methanone
CID 1505879
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone
CID 67089852
5-(2-fluorophenyl)-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714649
{4-[({[5-(2,3-difluorophenyl)-1H-indazol-3-yl]carbonyl}amino)methyl]piperidin-1-yl}acetic acid
CID 71714668
[4-({[(5-ethyl-1H-indazol-3-yl)carbonyl]amino}methyl)piperidin-1-yl]acetic acid
CID 71714670
1H-Indazole-3-carboxylic acid [4-(piperidine-1-carbonyl)-phenyl]-amide
CID 86760649
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 89777935

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone (CID 67089995) is 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone is O=C(CO)N1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is BJOAGGJGDHYXLD-JXMROGBWSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-15-21(28)25-11-13-26(14-12-25)22(29)17-8-5-16(6-9-17)7-10-20-18-3-1-2-4-19(18)23-24-20/h1-10,27H,11-15H2,(H,23,24)/b10-7+.
What are the key properties of 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone?
2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 390.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 67089995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).