5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide

C25H31FN4O2 — CID 67411467

IUPAC5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCC3CCCCN3)cc21
InChIInChI=1S/C25H31FN4O2/c1-17(2)16-30-23-14-22(25(31)28-12-10-20-5-3-4-11-27-20)24(13-18(23)15-29-30)32-21-8-6-19(26)7-9-21/h6-9,13-15,17,20,27H,3-5,10-12,16H2,1-2H3,(H,28,31)
InChIKeyZMFFXENVTFRJBZ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.89
Rot. Bonds8

About 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide

5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide (PubChem CID 67411467) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide
PubChem CID67411467
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCC3CCCCN3)cc21
InChIInChI=1S/C25H31FN4O2/c1-17(2)16-30-23-14-22(25(31)28-12-10-20-5-3-4-11-27-20)24(13-18(23)15-29-30)32-21-8-6-19(26)7-9-21/h6-9,13-15,17,20,27H,3-5,10-12,16H2,1-2H3,(H,28,31)
InChIKeyZMFFXENVTFRJBZ-UHFFFAOYSA-N
XLogP4.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide?
The IUPAC name of 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide (CID 67411467) is 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide?
The canonical SMILES for 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCC3CCCCN3)cc21.
What is the InChIKey of 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide?
The InChIKey is ZMFFXENVTFRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-17(2)16-30-23-14-22(25(31)28-12-10-20-5-3-4-11-27-20)24(13-18(23)15-29-30)32-21-8-6-19(26)7-9-21/h6-9,13-15,17,20,27H,3-5,10-12,16H2,1-2H3,(H,28,31).
What are the key properties of 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide?
5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-piperidin-2-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 67411467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).