1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C24H23FN6O2 — CID 90400749

IUPAC1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCOc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCN(C(C)=O)CC4)c3)c2c1
InChIInChI=1S/C24H23FN6O2/c1-15(32)30-9-11-31(12-10-30)21-14-17(5-7-26-21)23-18-13-16(3-4-19(18)28-29-23)22-20(33-2)6-8-27-24(22)25/h3-8,13-14H,9-12H2,1-2H3,(H,28,29)
InChIKeyZHLKQBHSUFNEAD-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 90400749) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID90400749
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCOc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCN(C(C)=O)CC4)c3)c2c1
InChIInChI=1S/C24H23FN6O2/c1-15(32)30-9-11-31(12-10-30)21-14-17(5-7-26-21)23-18-13-16(3-4-19(18)28-29-23)22-20(33-2)6-8-27-24(22)25/h3-8,13-14H,9-12H2,1-2H3,(H,28,29)
InChIKeyZHLKQBHSUFNEAD-UHFFFAOYSA-N
XLogP3.50
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 144697519
4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400745
2-[4-[8-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 58412416
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 90400944
4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 90400966
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
CID 90400906
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 90400749) is 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is COc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCN(C(C)=O)CC4)c3)c2c1.
What is the InChIKey of 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is ZHLKQBHSUFNEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-15(32)30-9-11-31(12-10-30)21-14-17(5-7-26-21)23-18-13-16(3-4-19(18)28-29-23)22-20(33-2)6-8-27-24(22)25/h3-8,13-14H,9-12H2,1-2H3,(H,28,29).
What are the key properties of 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 446.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90400749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).