2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C18H23N5O3 — CID 78868399

IUPAC2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)c2c1
InChIInChI=1S/C18H23N5O3/c1-11(2)19-16(24)18(26)23-8-6-22(7-9-23)17(25)15-13-10-12(3)4-5-14(13)20-21-15/h4-5,10-11H,6-9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyWYJWCNJIGNLKGO-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.68
Rot. Bonds2

About 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 78868399) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID78868399
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)c2c1
InChIInChI=1S/C18H23N5O3/c1-11(2)19-16(24)18(26)23-8-6-22(7-9-23)17(25)15-13-10-12(3)4-5-14(13)20-21-15/h4-5,10-11H,6-9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyWYJWCNJIGNLKGO-UHFFFAOYSA-N
XLogP0.68
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78858955
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51283891
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124693208
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617
3-(5-methyl-1H-indazole-3-carbonyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-6-one
CID 169170579
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 78868399) is 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is Cc1ccc2[nH]nc(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)c2c1.
What is the InChIKey of 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is WYJWCNJIGNLKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(2)19-16(24)18(26)23-8-6-22(7-9-23)17(25)15-13-10-12(3)4-5-14(13)20-21-15/h4-5,10-11H,6-9H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 357.41 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 78868399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).