2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide

C26H24F2N8O — CID 66836454

IUPAC2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C26H24F2N8O/c27-19-2-1-17(21(28)13-19)12-26(37)33-20-14-22(34-23(15-20)35-24-16-30-5-6-31-24)18-3-4-32-25(11-18)36-9-7-29-8-10-36/h1-6,11,13-16,29H,7-10,12H2,(H2,31,33,34,35,37)
InChIKeyPELHQVMDPFAZGJ-UHFFFAOYSA-N
MW502.53 g/mol
LogP3.55
Rot. Bonds7

About 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide

2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide (PubChem CID 66836454) has the molecular formula C26H24F2N8O and a molecular weight of 502.53 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide
PubChem CID66836454
Molecular FormulaC26H24F2N8O
Molecular Weight502.53 g/mol
Exact Mass502.20
IUPAC Name2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C26H24F2N8O/c27-19-2-1-17(21(28)13-19)12-26(37)33-20-14-22(34-23(15-20)35-24-16-30-5-6-31-24)18-3-4-32-25(11-18)36-9-7-29-8-10-36/h1-6,11,13-16,29H,7-10,12H2,(H2,31,33,34,35,37)
InChIKeyPELHQVMDPFAZGJ-UHFFFAOYSA-N
XLogP3.55
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide (CID 66836454) is 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide is O=C(Cc1ccc(F)cc1F)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide?
The InChIKey is PELHQVMDPFAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N8O/c27-19-2-1-17(21(28)13-19)12-26(37)33-20-14-22(34-23(15-20)35-24-16-30-5-6-31-24)18-3-4-32-25(11-18)36-9-7-29-8-10-36/h1-6,11,13-16,29H,7-10,12H2,(H2,31,33,34,35,37).
What are the key properties of 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide?
2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide has a molecular weight of 502.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]acetamide is sourced from PubChem (CID 66836454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).