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

C24H24F2N4O2 — CID 24792130

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1
InChIInChI=1S/C24H24F2N4O2/c25-16-8-9-23(19(26)14-16)30-22-7-3-5-20(18(22)15-27-30)28-24(31)17-4-1-2-6-21(17)29-10-12-32-13-11-29/h1-2,4,6,8-9,14-15,20H,3,5,7,10-13H2,(H,28,31)
InChIKeyYPEFQKIETPEKPH-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.79
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (PubChem CID 24792130) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
PubChem CID24792130
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1
InChIInChI=1S/C24H24F2N4O2/c25-16-8-9-23(19(26)14-16)30-22-7-3-5-20(18(22)15-27-30)28-24(31)17-4-1-2-6-21(17)29-10-12-32-13-11-29/h1-2,4,6,8-9,14-15,20H,3,5,7,10-13H2,(H,28,31)
InChIKeyYPEFQKIETPEKPH-UHFFFAOYSA-N
XLogP3.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 24769095
N-Ethyl-2-methyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 24937934
N-Ethyl-2-fluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 24937935
N-Ethyl-2,6-difluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 44517735
N-Ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45267605
N-Ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45267606
N-Ethyl-2-fluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45267615
N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(6-methyl-1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 45268485
N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]propyl]benzamide
CID 45269348
N-Ethyl-2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 45273670
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746
3-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 24687585

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide (CID 24792130) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is YPEFQKIETPEKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c25-16-8-9-23(19(26)14-16)30-22-7-3-5-20(18(22)15-27-30)28-24(31)17-4-1-2-6-21(17)29-10-12-32-13-11-29/h1-2,4,6,8-9,14-15,20H,3,5,7,10-13H2,(H,28,31).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 438.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 24792130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).