2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

C18H17ClF2N6 — CID 87069280

IUPAC2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESFc1ccc(F)c(C(c2cn[nH]c2)N2CCN(c3nccnc3Cl)CC2)c1
InChIInChI=1S/C18H17ClF2N6/c19-17-18(23-4-3-22-17)27-7-5-26(6-8-27)16(12-10-24-25-11-12)14-9-13(20)1-2-15(14)21/h1-4,9-11,16H,5-8H2,(H,24,25)
InChIKeyXZSUGHXCYCUQNC-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 87069280) has the molecular formula C18H17ClF2N6 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID87069280
Molecular FormulaC18H17ClF2N6
Molecular Weight390.83 g/mol
Exact Mass390.12
IUPAC Name2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESFc1ccc(F)c(C(c2cn[nH]c2)N2CCN(c3nccnc3Cl)CC2)c1
InChIInChI=1S/C18H17ClF2N6/c19-17-18(23-4-3-22-17)27-7-5-26(6-8-27)16(12-10-24-25-11-12)14-9-13(20)1-2-15(14)21/h1-4,9-11,16H,5-8H2,(H,24,25)
InChIKeyXZSUGHXCYCUQNC-UHFFFAOYSA-N
XLogP3.04
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (CID 87069280) is 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is Fc1ccc(F)c(C(c2cn[nH]c2)N2CCN(c3nccnc3Cl)CC2)c1.
What is the InChIKey of 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is XZSUGHXCYCUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N6/c19-17-18(23-4-3-22-17)27-7-5-26(6-8-27)16(12-10-24-25-11-12)14-9-13(20)1-2-15(14)21/h1-4,9-11,16H,5-8H2,(H,24,25).
What are the key properties of 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 390.83 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 87069280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).