7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile

C23H25FN4O — CID 25160190

IUPAC7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C#N)cc2cn[nH]c12
InChIInChI=1S/C23H25FN4O/c1-16(21-12-17(13-25)11-18-14-26-27-22(18)21)29-15-23(7-9-28(2)10-8-23)19-3-5-20(24)6-4-19/h3-6,11-12,14,16H,7-10,15H2,1-2H3,(H,26,27)
InChIKeySHBKLUGZNDHWPZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.31
Rot. Bonds5

About 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile

7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile (PubChem CID 25160190) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile
PubChem CID25160190
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C#N)cc2cn[nH]c12
InChIInChI=1S/C23H25FN4O/c1-16(21-12-17(13-25)11-18-14-26-27-22(18)21)29-15-23(7-9-28(2)10-8-23)19-3-5-20(24)6-4-19/h3-6,11-12,14,16H,7-10,15H2,1-2H3,(H,26,27)
InChIKeySHBKLUGZNDHWPZ-UHFFFAOYSA-N
XLogP4.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile?
The IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile (CID 25160190) is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile.
What is the SMILES notation for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile?
The canonical SMILES for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C#N)cc2cn[nH]c12.
What is the InChIKey of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile?
The InChIKey is SHBKLUGZNDHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16(21-12-17(13-25)11-18-14-26-27-22(18)21)29-15-23(7-9-28(2)10-8-23)19-3-5-20(24)6-4-19/h3-6,11-12,14,16H,7-10,15H2,1-2H3,(H,26,27).
What are the key properties of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile?
7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile has a molecular weight of 392.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole-5-carbonitrile is sourced from PubChem (CID 25160190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).