2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone

C20H20ClN5O2 — CID 117073092

IUPAC2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESNC(C(=O)N1CCN(C(=O)c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O2/c21-16-4-1-13(2-5-16)18(22)20(28)26-9-7-25(8-10-26)19(27)14-3-6-17-15(11-14)12-23-24-17/h1-6,11-12,18H,7-10,22H2,(H,23,24)
InChIKeyXGIWPAMOVAJAPD-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone

2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 117073092) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID117073092
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESNC(C(=O)N1CCN(C(=O)c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O2/c21-16-4-1-13(2-5-16)18(22)20(28)26-9-7-25(8-10-26)19(27)14-3-6-17-15(11-14)12-23-24-17/h1-6,11-12,18H,7-10,22H2,(H,23,24)
InChIKeyXGIWPAMOVAJAPD-UHFFFAOYSA-N
XLogP2.20
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone (CID 117073092) is 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone is NC(C(=O)N1CCN(C(=O)c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is XGIWPAMOVAJAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-16-4-1-13(2-5-16)18(22)20(28)26-9-7-25(8-10-26)19(27)14-3-6-17-15(11-14)12-23-24-17/h1-6,11-12,18H,7-10,22H2,(H,23,24).
What are the key properties of 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone?
2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 397.87 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 117073092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).