[5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C26H29FN4O — CID 146641564

IUPAC[5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nn(-c2ccccc2)c2c1CC(NCc1ccc(F)cc1)CC2)N1CCCCC1
InChIInChI=1S/C26H29FN4O/c27-20-11-9-19(10-12-20)18-28-21-13-14-24-23(17-21)25(26(32)30-15-5-2-6-16-30)29-31(24)22-7-3-1-4-8-22/h1,3-4,7-12,21,28H,2,5-6,13-18H2
InChIKeyNABHASRRFFIFHH-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.28
Rot. Bonds5

About [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 146641564) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID146641564
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name[5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nn(-c2ccccc2)c2c1CC(NCc1ccc(F)cc1)CC2)N1CCCCC1
InChIInChI=1S/C26H29FN4O/c27-20-11-9-19(10-12-20)18-28-21-13-14-24-23(17-21)25(26(32)30-15-5-2-6-16-30)29-31(24)22-7-3-1-4-8-22/h1,3-4,7-12,21,28H,2,5-6,13-18H2
InChIKeyNABHASRRFFIFHH-UHFFFAOYSA-N
XLogP4.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 146641564) is [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is O=C(c1nn(-c2ccccc2)c2c1CC(NCc1ccc(F)cc1)CC2)N1CCCCC1.
What is the InChIKey of [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is NABHASRRFFIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c27-20-11-9-19(10-12-20)18-28-21-13-14-24-23(17-21)25(26(32)30-15-5-2-6-16-30)29-31(24)22-7-3-1-4-8-22/h1,3-4,7-12,21,28H,2,5-6,13-18H2.
What are the key properties of [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 432.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146641564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).