5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine

C17H17FN8O2S — CID 145126562

IUPAC5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCOc1cnc2c(Nc3cc(C4CS(=O)N(C)C(N)=N4)c(F)cn3)nccc2n1
InChIInChI=1S/C17H17FN8O2S/c1-26-17(19)24-12(8-29(26)27)9-5-13(21-6-10(9)18)25-16-15-11(3-4-20-16)23-14(28-2)7-22-15/h3-7,12H,8H2,1-2H3,(H2,19,24)(H,20,21,25)
InChIKeyKIQRXHJPQNWFCJ-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.28
Rot. Bonds4

About 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine

5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (PubChem CID 145126562) has the molecular formula C17H17FN8O2S and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
PubChem CID145126562
Molecular FormulaC17H17FN8O2S
Molecular Weight416.44 g/mol
Exact Mass416.12
IUPAC Name5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCOc1cnc2c(Nc3cc(C4CS(=O)N(C)C(N)=N4)c(F)cn3)nccc2n1
InChIInChI=1S/C17H17FN8O2S/c1-26-17(19)24-12(8-29(26)27)9-5-13(21-6-10(9)18)25-16-15-11(3-4-20-16)23-14(28-2)7-22-15/h3-7,12H,8H2,1-2H3,(H2,19,24)(H,20,21,25)
InChIKeyKIQRXHJPQNWFCJ-UHFFFAOYSA-N
XLogP1.28
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (CID 145126562) is 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is COc1cnc2c(Nc3cc(C4CS(=O)N(C)C(N)=N4)c(F)cn3)nccc2n1.
What is the InChIKey of 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The InChIKey is KIQRXHJPQNWFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN8O2S/c1-26-17(19)24-12(8-29(26)27)9-5-13(21-6-10(9)18)25-16-15-11(3-4-20-16)23-14(28-2)7-22-15/h3-7,12H,8H2,1-2H3,(H2,19,24)(H,20,21,25).
What are the key properties of 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine has a molecular weight of 416.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 145126562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).