2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

C20H22F2N6 — CID 68795792

IUPAC2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1c(CN2CCN(c3cnccn3)C(c3cc(F)ccc3F)C2)cnn1C
InChIInChI=1S/C20H22F2N6/c1-14-15(10-25-26(14)2)12-27-7-8-28(20-11-23-5-6-24-20)19(13-27)17-9-16(21)3-4-18(17)22/h3-6,9-11,19H,7-8,12-13H2,1-2H3
InChIKeyYQOOEZDPOCADDN-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.86
Rot. Bonds4

About 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 68795792) has the molecular formula C20H22F2N6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID68795792
Molecular FormulaC20H22F2N6
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1c(CN2CCN(c3cnccn3)C(c3cc(F)ccc3F)C2)cnn1C
InChIInChI=1S/C20H22F2N6/c1-14-15(10-25-26(14)2)12-27-7-8-28(20-11-23-5-6-24-20)19(13-27)17-9-16(21)3-4-18(17)22/h3-6,9-11,19H,7-8,12-13H2,1-2H3
InChIKeyYQOOEZDPOCADDN-UHFFFAOYSA-N
XLogP2.86
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11198924
Pf-05180999
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SB-220025
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4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (CID 68795792) is 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is Cc1c(CN2CCN(c3cnccn3)C(c3cc(F)ccc3F)C2)cnn1C.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is YQOOEZDPOCADDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6/c1-14-15(10-25-26(14)2)12-27-7-8-28(20-11-23-5-6-24-20)19(13-27)17-9-16(21)3-4-18(17)22/h3-6,9-11,19H,7-8,12-13H2,1-2H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 384.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 68795792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).