N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide

C24H25FN4O2 — CID 24819235

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1ccccc1N1CCOCC1
InChIInChI=1S/C24H25FN4O2/c25-19-7-2-4-10-23(19)29-22-11-5-8-20(18(22)16-26-29)27-24(30)17-6-1-3-9-21(17)28-12-14-31-15-13-28/h1-4,6-7,9-10,16,20H,5,8,11-15H2,(H,27,30)
InChIKeyPGUOERZYMDERSZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (PubChem CID 24819235) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
PubChem CID24819235
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1ccccc1N1CCOCC1
InChIInChI=1S/C24H25FN4O2/c25-19-7-2-4-10-23(19)29-22-11-5-8-20(18(22)16-26-29)27-24(30)17-6-1-3-9-21(17)28-12-14-31-15-13-28/h1-4,6-7,9-10,16,20H,5,8,11-15H2,(H,27,30)
InChIKeyPGUOERZYMDERSZ-UHFFFAOYSA-N
XLogP3.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (CID 24819235) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is O=C(NC1CCCc2c1cnn2-c1ccccc1F)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is PGUOERZYMDERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-19-7-2-4-10-23(19)29-22-11-5-8-20(18(22)16-26-29)27-24(30)17-6-1-3-9-21(17)28-12-14-31-15-13-28/h1-4,6-7,9-10,16,20H,5,8,11-15H2,(H,27,30).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 420.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 24819235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).