6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline

C28H26FN5OS — CID 142306260

IUPAC6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCC(S(C)=O)CC5)nc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H26FN5OS/c1-18-13-24(23-15-21(29)4-5-25(23)32-18)26-17-31-28-14-19(7-12-34(26)28)20-3-6-27(30-16-20)33-10-8-22(9-11-33)36(2)35/h3-7,12-17,22H,8-11H2,1-2H3
InChIKeyATSBIVIFDKJFSB-UHFFFAOYSA-N
MW499.62 g/mol
LogP5.41
Rot. Bonds4

About 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline

6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 142306260) has the molecular formula C28H26FN5OS and a molecular weight of 499.62 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID142306260
Molecular FormulaC28H26FN5OS
Molecular Weight499.62 g/mol
Exact Mass499.18
IUPAC Name6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCC(S(C)=O)CC5)nc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H26FN5OS/c1-18-13-24(23-15-21(29)4-5-25(23)32-18)26-17-31-28-14-19(7-12-34(26)28)20-3-6-27(30-16-20)33-10-8-22(9-11-33)36(2)35/h3-7,12-17,22H,8-11H2,1-2H3
InChIKeyATSBIVIFDKJFSB-UHFFFAOYSA-N
XLogP5.41
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 142306260) is 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCC(S(C)=O)CC5)nc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is ATSBIVIFDKJFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5OS/c1-18-13-24(23-15-21(29)4-5-25(23)32-18)26-17-31-28-14-19(7-12-34(26)28)20-3-6-27(30-16-20)33-10-8-22(9-11-33)36(2)35/h3-7,12-17,22H,8-11H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 499.62 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[7-[6-(4-methylsulfinylpiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 142306260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).