2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C14H17ClN4O — CID 126459256

IUPAC2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ncc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H17ClN4O/c1-17-4-6-18(7-5-17)14(20)10-19-13-8-12(15)3-2-11(13)9-16-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyKUGHIWJBCSTFHD-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.46
Rot. Bonds2

About 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 126459256) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID126459256
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ncc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H17ClN4O/c1-17-4-6-18(7-5-17)14(20)10-19-13-8-12(15)3-2-11(13)9-16-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyKUGHIWJBCSTFHD-UHFFFAOYSA-N
XLogP1.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 126459256) is 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2ncc3ccc(Cl)cc32)CC1.
What is the InChIKey of 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KUGHIWJBCSTFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-17-4-6-18(7-5-17)14(20)10-19-13-8-12(15)3-2-11(13)9-16-19/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 292.77 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 126459256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).