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

C19H20ClN5O — CID 16662100

IUPAC2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
SMILESNC(C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O/c20-15-3-1-13(2-4-15)18(21)19(26)25-9-7-24(8-10-25)16-5-6-17-14(11-16)12-22-23-17/h1-6,11-12,18H,7-10,21H2,(H,22,23)
InChIKeyGFJJIBKQWYQEJL-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.56
Rot. Bonds3

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

2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 16662100) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
PubChem CID16662100
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone
SMILESNC(C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O/c20-15-3-1-13(2-4-15)18(21)19(26)25-9-7-24(8-10-25)16-5-6-17-14(11-16)12-22-23-17/h1-6,11-12,18H,7-10,21H2,(H,22,23)
InChIKeyGFJJIBKQWYQEJL-UHFFFAOYSA-N
XLogP2.56
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.56
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-indazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone (CID 16662100) is 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone is NC(C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is GFJJIBKQWYQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-15-3-1-13(2-4-15)18(21)19(26)25-9-7-24(8-10-25)16-5-6-17-14(11-16)12-22-23-17/h1-6,11-12,18H,7-10,21H2,(H,22,23).
What are the key properties of 2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone?
2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 369.86 g/mol, XLogP of 2.56, 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-indazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 16662100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).