pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane

C20H12F7N5S — CID 142401426

IUPACpentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane
SMILESCc1nc2cnc(-c3ccc(F)c(S(F)(F)(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C20H12F7N5S/c1-10-20(12-3-5-15-13(19(12)22)7-29-31-15)32-9-16(28-8-18(32)30-10)11-2-4-14(21)17(6-11)33(23,24,25,26)27/h2-9H,1H3,(H,29,31)
InChIKeyKRKQAFMREPWODJ-UHFFFAOYSA-N
MW487.40 g/mol
LogP7.18
Rot. Bonds3

About pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane

pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane (PubChem CID 142401426) has the molecular formula C20H12F7N5S and a molecular weight of 487.40 g/mol. Its IUPAC name is pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane
PubChem CID142401426
Molecular FormulaC20H12F7N5S
Molecular Weight487.40 g/mol
Exact Mass487.07
IUPAC Namepentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane
SMILESCc1nc2cnc(-c3ccc(F)c(S(F)(F)(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C20H12F7N5S/c1-10-20(12-3-5-15-13(19(12)22)7-29-31-15)32-9-16(28-8-18(32)30-10)11-2-4-14(21)17(6-11)33(23,24,25,26)27/h2-9H,1H3,(H,29,31)
InChIKeyKRKQAFMREPWODJ-UHFFFAOYSA-N
XLogP7.18
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane (CID 142401426) is pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane is Cc1nc2cnc(-c3ccc(F)c(S(F)(F)(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.
What is the InChIKey of pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane?
The InChIKey is KRKQAFMREPWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F7N5S/c1-10-20(12-3-5-15-13(19(12)22)7-29-31-15)32-9-16(28-8-18(32)30-10)11-2-4-14(21)17(6-11)33(23,24,25,26)27/h2-9H,1H3,(H,29,31).
What are the key properties of pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane?
pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane has a molecular weight of 487.40 g/mol, XLogP of 7.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane is sourced from PubChem (CID 142401426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).