[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone

C25H22F2N4O — CID 37314320

IUPAC[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H22F2N4O/c26-20-8-4-17(5-9-20)24(18-6-10-21(27)11-7-18)30-12-14-31(15-13-30)25(32)22-3-1-2-19-16-28-29-23(19)22/h1-11,16,24H,12-15H2,(H,28,29)
InChIKeyUAYJECAXLFFVGO-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.39
Rot. Bonds4

About [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone (PubChem CID 37314320) has the molecular formula C25H22F2N4O and a molecular weight of 432.47 g/mol. Its IUPAC name is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
PubChem CID37314320
Molecular FormulaC25H22F2N4O
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H22F2N4O/c26-20-8-4-17(5-9-20)24(18-6-10-21(27)11-7-18)30-12-14-31(15-13-30)25(32)22-3-1-2-19-16-28-29-23(19)22/h1-11,16,24H,12-15H2,(H,28,29)
InChIKeyUAYJECAXLFFVGO-UHFFFAOYSA-N
XLogP4.39
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
CID 32773251
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 60551277
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 8929352
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 30290633
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 38208820
3-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 37314315

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone?
The IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone (CID 37314320) is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone.
What is the SMILES notation for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone?
The canonical SMILES for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone is O=C(c1cccc2cn[nH]c12)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone?
The InChIKey is UAYJECAXLFFVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O/c26-20-8-4-17(5-9-20)24(18-6-10-21(27)11-7-18)30-12-14-31(15-13-30)25(32)22-3-1-2-19-16-28-29-23(19)22/h1-11,16,24H,12-15H2,(H,28,29).
What are the key properties of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone?
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone has a molecular weight of 432.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone is sourced from PubChem (CID 37314320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).