1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

C24H24ClF3N6 — CID 46871653

IUPAC1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(-c3ccnc(N4CCNCC4)c3)cc21
InChIInChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32)
InChIKeyAHZCYZMNFBGXAC-UHFFFAOYSA-N
MW488.95 g/mol
LogP4.66
Rot. Bonds4

About 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 46871653) has the molecular formula C24H24ClF3N6 and a molecular weight of 488.95 g/mol. Its IUPAC name is 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
PubChem CID46871653
Molecular FormulaC24H24ClF3N6
Molecular Weight488.95 g/mol
Exact Mass488.17
IUPAC Name1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESFC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(-c3ccnc(N4CCNCC4)c3)cc21
InChIInChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32)
InChIKeyAHZCYZMNFBGXAC-UHFFFAOYSA-N
XLogP4.66
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The IUPAC name of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (CID 46871653) is 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(-c3ccnc(N4CCNCC4)c3)cc21.
What is the InChIKey of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The InChIKey is AHZCYZMNFBGXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32).
What are the key properties of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 488.95 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-yl-4-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 46871653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).