1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone

C16H22N4O — CID 121326406

IUPAC1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(C)C)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H22N4O/c1-11(2)13-8-15-14(10-17-18-15)16(9-13)20-6-4-19(5-7-20)12(3)21/h8-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyBRISGOOPMCYOFV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.35
Rot. Bonds2

About 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone

1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 121326406) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
PubChem CID121326406
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(C)C)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H22N4O/c1-11(2)13-8-15-14(10-17-18-15)16(9-13)20-6-4-19(5-7-20)12(3)21/h8-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyBRISGOOPMCYOFV-UHFFFAOYSA-N
XLogP2.35
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326388
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
1-[4-(5-amino-1H-pyrazol-4-yl)-1,4-diazepan-1-yl]ethanone
CID 82234671
6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 121326046
1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 71240518
1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone
CID 121326234
4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008940

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone (CID 121326406) is 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(C)C)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The InChIKey is BRISGOOPMCYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)13-8-15-14(10-17-18-15)16(9-13)20-6-4-19(5-7-20)12(3)21/h8-11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 121326406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).