1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone

C22H20ClF2N5O2 — CID 71200288

IUPAC1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C22H20ClF2N5O2/c1-32-13-20(31)30-8-6-29(7-9-30)19-12-27-21(16-3-2-14(24)10-18(16)25)22(28-19)15-4-5-26-11-17(15)23/h2-5,10-12H,6-9,13H2,1H3
InChIKeyUIAYYYSUIRPDIC-UHFFFAOYSA-N
MW459.88 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone

1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 71200288) has the molecular formula C22H20ClF2N5O2 and a molecular weight of 459.88 g/mol. Its IUPAC name is 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone
PubChem CID71200288
Molecular FormulaC22H20ClF2N5O2
Molecular Weight459.88 g/mol
Exact Mass459.13
IUPAC Name1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C22H20ClF2N5O2/c1-32-13-20(31)30-8-6-29(7-9-30)19-12-27-21(16-3-2-14(24)10-18(16)25)22(28-19)15-4-5-26-11-17(15)23/h2-5,10-12H,6-9,13H2,1H3
InChIKeyUIAYYYSUIRPDIC-UHFFFAOYSA-N
XLogP3.43
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone (CID 71200288) is 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is UIAYYYSUIRPDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N5O2/c1-32-13-20(31)30-8-6-29(7-9-30)19-12-27-21(16-3-2-14(24)10-18(16)25)22(28-19)15-4-5-26-11-17(15)23/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 459.88 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 71200288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).