4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one

C20H23N5O3 — CID 90400966

IUPAC4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
SMILESCOCCOc1ccc2[nH]nc(-c3ccnc(N4CCN(C)C(=O)C4)c3)c2c1
InChIInChI=1S/C20H23N5O3/c1-24-7-8-25(13-19(24)26)18-11-14(5-6-21-18)20-16-12-15(28-10-9-27-2)3-4-17(16)22-23-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23)
InChIKeyZFHRRPQOBYUBQT-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.93
Rot. Bonds6

About 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one

4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one (PubChem CID 90400966) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
PubChem CID90400966
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
SMILESCOCCOc1ccc2[nH]nc(-c3ccnc(N4CCN(C)C(=O)C4)c3)c2c1
InChIInChI=1S/C20H23N5O3/c1-24-7-8-25(13-19(24)26)18-11-14(5-6-21-18)20-16-12-15(28-10-9-27-2)3-4-17(16)22-23-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23)
InChIKeyZFHRRPQOBYUBQT-UHFFFAOYSA-N
XLogP1.93
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one (CID 90400966) is 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one is COCCOc1ccc2[nH]nc(-c3ccnc(N4CCN(C)C(=O)C4)c3)c2c1.
What is the InChIKey of 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
The InChIKey is ZFHRRPQOBYUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-7-8-25(13-19(24)26)18-11-14(5-6-21-18)20-16-12-15(28-10-9-27-2)3-4-17(16)22-23-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one has a molecular weight of 381.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 90400966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).