1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone

C23H25N7O2 — CID 72948216

IUPAC1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ncc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc32)CC1
InChIInChI=1S/C23H25N7O2/c1-17(31)29-11-8-28(9-12-29)10-13-30-22-4-3-20(14-19(22)16-26-30)32-23-5-2-18(15-24-23)21-6-7-25-27-21/h2-7,14-16H,8-13H2,1H3,(H,25,27)
InChIKeyDODRESGUWBQESN-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.78
Rot. Bonds6

About 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 72948216) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID72948216
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ncc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc32)CC1
InChIInChI=1S/C23H25N7O2/c1-17(31)29-11-8-28(9-12-29)10-13-30-22-4-3-20(14-19(22)16-26-30)32-23-5-2-18(15-24-23)21-6-7-25-27-21/h2-7,14-16H,8-13H2,1H3,(H,25,27)
InChIKeyDODRESGUWBQESN-UHFFFAOYSA-N
XLogP2.78
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone (CID 72948216) is 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCn2ncc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc32)CC1.
What is the InChIKey of 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is DODRESGUWBQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-17(31)29-11-8-28(9-12-29)10-13-30-22-4-3-20(14-19(22)16-26-30)32-23-5-2-18(15-24-23)21-6-7-25-27-21/h2-7,14-16H,8-13H2,1H3,(H,25,27).
What are the key properties of 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 431.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 72948216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).