(2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol

C21H24F2N6O — CID 59321770

IUPAC(2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
SMILESO[C@@H](CF)Cn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H24F2N6O/c22-11-19(30)15-29-14-16(12-26-29)13-27-7-9-28(10-8-27)21-20(24-5-6-25-21)17-1-3-18(23)4-2-17/h1-6,12,14,19,30H,7-11,13,15H2/t19-/m0/s1
InChIKeyNYUQOYSQHLLFPW-IBGZPJMESA-N
MW414.46 g/mol
LogP2.13
Rot. Bonds7

About (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol

(2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol (PubChem CID 59321770) has the molecular formula C21H24F2N6O and a molecular weight of 414.46 g/mol. Its IUPAC name is (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
PubChem CID59321770
Molecular FormulaC21H24F2N6O
Molecular Weight414.46 g/mol
Exact Mass414.20
IUPAC Name(2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
SMILESO[C@@H](CF)Cn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H24F2N6O/c22-11-19(30)15-29-14-16(12-26-29)13-27-7-9-28(10-8-27)21-20(24-5-6-25-21)17-1-3-18(23)4-2-17/h1-6,12,14,19,30H,7-11,13,15H2/t19-/m0/s1
InChIKeyNYUQOYSQHLLFPW-IBGZPJMESA-N
XLogP2.13
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol (CID 59321770) is (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol is O[C@@H](CF)Cn1cc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
The InChIKey is NYUQOYSQHLLFPW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24F2N6O/c22-11-19(30)15-29-14-16(12-26-29)13-27-7-9-28(10-8-27)21-20(24-5-6-25-21)17-1-3-18(23)4-2-17/h1-6,12,14,19,30H,7-11,13,15H2/t19-/m0/s1.
What are the key properties of (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol?
(2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol has a molecular weight of 414.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 59321770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).