[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C24H23F4N5O — CID 16595994

IUPAC[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H23F4N5O/c25-17-6-8-18(9-7-17)33-20-4-2-1-3-19(20)22(30-33)23(34)32-13-11-31(12-14-32)21-10-5-16(15-29-21)24(26,27)28/h5-10,15H,1-4,11-14H2
InChIKeyLVVNXHNWTBXTHE-UHFFFAOYSA-N
MW473.47 g/mol
LogP4.27
Rot. Bonds3

About [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 16595994) has the molecular formula C24H23F4N5O and a molecular weight of 473.47 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID16595994
Molecular FormulaC24H23F4N5O
Molecular Weight473.47 g/mol
Exact Mass473.18
IUPAC Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H23F4N5O/c25-17-6-8-18(9-7-17)33-20-4-2-1-3-19(20)22(30-33)23(34)32-13-11-31(12-14-32)21-10-5-16(15-29-21)24(26,27)28/h5-10,15H,1-4,11-14H2
InChIKeyLVVNXHNWTBXTHE-UHFFFAOYSA-N
XLogP4.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16594851
[2-(4-fluorophenyl)tetrazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71791476
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 16599689
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55487253
[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 36995955
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4838574
4-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720732
1-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46448035
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24660925
[1-(4-fluorophenyl)cyclopropyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 30786485

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 16595994) is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is LVVNXHNWTBXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O/c25-17-6-8-18(9-7-17)33-20-4-2-1-3-19(20)22(30-33)23(34)32-13-11-31(12-14-32)21-10-5-16(15-29-21)24(26,27)28/h5-10,15H,1-4,11-14H2.
What are the key properties of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 473.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 16595994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).