6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine

C21H24FN7 — CID 70672027

IUPAC6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(N2CCNCC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN7/c1-15(16-2-4-17(22)5-3-16)26-19-12-18(29-10-8-23-9-11-29)13-20(27-19)28-21-14-24-6-7-25-21/h2-7,12-15,23H,8-11H2,1H3,(H2,25,26,27,28)/t15-/m0/s1
InChIKeyCZCGSRNZZIPPQW-HNNXBMFYSA-N
MW393.47 g/mol
LogP3.34
Rot. Bonds6

About 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine

6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 70672027) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID70672027
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(N2CCNCC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN7/c1-15(16-2-4-17(22)5-3-16)26-19-12-18(29-10-8-23-9-11-29)13-20(27-19)28-21-14-24-6-7-25-21/h2-7,12-15,23H,8-11H2,1H3,(H2,25,26,27,28)/t15-/m0/s1
InChIKeyCZCGSRNZZIPPQW-HNNXBMFYSA-N
XLogP3.34
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine (CID 70672027) is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine is C[C@H](Nc1cc(N2CCNCC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is CZCGSRNZZIPPQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24FN7/c1-15(16-2-4-17(22)5-3-16)26-19-12-18(29-10-8-23-9-11-29)13-20(27-19)28-21-14-24-6-7-25-21/h2-7,12-15,23H,8-11H2,1H3,(H2,25,26,27,28)/t15-/m0/s1.
What are the key properties of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine?
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 393.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 70672027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).