2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

C17H23N5O2 — CID 170858444

IUPAC2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H23N5O2/c1-11(2)14(18)16(23)21-7-9-22(10-8-21)17(24)15-12-5-3-4-6-13(12)19-20-15/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,20)
InChIKeyCMNQVJQNWKEALV-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 170858444) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID170858444
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H23N5O2/c1-11(2)14(18)16(23)21-7-9-22(10-8-21)17(24)15-12-5-3-4-6-13(12)19-20-15/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,20)
InChIKeyCMNQVJQNWKEALV-UHFFFAOYSA-N
XLogP0.83
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(2S)-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 95295053
4-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858451
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249
[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 75495968
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (CID 170858444) is 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is CMNQVJQNWKEALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)14(18)16(23)21-7-9-22(10-8-21)17(24)15-12-5-3-4-6-13(12)19-20-15/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 329.40 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 170858444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).