4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one

C19H17N5O2 — CID 25055718

IUPAC4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cn2)CCN1
InChIInChI=1S/C19H17N5O2/c25-18-12-24(10-9-20-18)19(26)17-8-6-13(11-21-17)5-7-16-14-3-1-2-4-15(14)22-23-16/h1-8,11H,9-10,12H2,(H,20,25)(H,22,23)/b7-5+
InChIKeyWUAYRGKJQNZEIS-FNORWQNLSA-N
MW347.38 g/mol
LogP1.70
Rot. Bonds3

About 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one

4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one (PubChem CID 25055718) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one
PubChem CID25055718
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cn2)CCN1
InChIInChI=1S/C19H17N5O2/c25-18-12-24(10-9-20-18)19(26)17-8-6-13(11-21-17)5-7-16-14-3-1-2-4-15(14)22-23-16/h1-8,11H,9-10,12H2,(H,20,25)(H,22,23)/b7-5+
InChIKeyWUAYRGKJQNZEIS-FNORWQNLSA-N
XLogP1.70
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone
CID 67089995
3-amino-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]propan-1-one
CID 67090021
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 67089867
4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
CID 170715914
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67089837
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249
1-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 67090706
[1-[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-oxopropan-2-yl] piperazine-1-carboxylate
CID 174499527
N,N-diethyl-1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidine-4-carboxamide
CID 67090044
2-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 67090329
1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]-N-methylpiperidine-4-carboxamide
CID 67089780

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one (CID 25055718) is 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cn2)CCN1.
What is the InChIKey of 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one?
The InChIKey is WUAYRGKJQNZEIS-FNORWQNLSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-18-12-24(10-9-20-18)19(26)17-8-6-13(11-21-17)5-7-16-14-3-1-2-4-15(14)22-23-16/h1-8,11H,9-10,12H2,(H,20,25)(H,22,23)/b7-5+.
What are the key properties of 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one?
4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 347.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 25055718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).