1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

C23H24F2N6O2S — CID 46906670

IUPAC1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESCN1CCN(c2ccc(-c3cnc4c(c3)N(S(=O)(=O)c3cc(F)ccc3F)CCN4)cn2)CC1
InChIInChI=1S/C23H24F2N6O2S/c1-29-8-10-30(11-9-29)22-5-2-16(14-27-22)17-12-20-23(28-15-17)26-6-7-31(20)34(32,33)21-13-18(24)3-4-19(21)25/h2-5,12-15H,6-11H2,1H3,(H,26,28)
InChIKeyYNBJXHBCGCJJCD-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.79
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 46906670) has the molecular formula C23H24F2N6O2S and a molecular weight of 486.55 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
PubChem CID46906670
Molecular FormulaC23H24F2N6O2S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESCN1CCN(c2ccc(-c3cnc4c(c3)N(S(=O)(=O)c3cc(F)ccc3F)CCN4)cn2)CC1
InChIInChI=1S/C23H24F2N6O2S/c1-29-8-10-30(11-9-29)22-5-2-16(14-27-22)17-12-20-23(28-15-17)26-6-7-31(20)34(32,33)21-13-18(24)3-4-19(21)25/h2-5,12-15H,6-11H2,1H3,(H,26,28)
InChIKeyYNBJXHBCGCJJCD-UHFFFAOYSA-N
XLogP2.79
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (CID 46906670) is 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is CN1CCN(c2ccc(-c3cnc4c(c3)N(S(=O)(=O)c3cc(F)ccc3F)CCN4)cn2)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The InChIKey is YNBJXHBCGCJJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2S/c1-29-8-10-30(11-9-29)22-5-2-16(14-27-22)17-12-20-23(28-15-17)26-6-7-31(20)34(32,33)21-13-18(24)3-4-19(21)25/h2-5,12-15H,6-11H2,1H3,(H,26,28).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 486.55 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 46906670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).