5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline

C38H26F2N6S — CID 158941771

IUPAC5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline
SMILESCc1c(F)ccc(-c2ncccc2-c2ccc3ncsc3n2)c1F.Cc1cccc(-c2cccnc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C20H15N3.C18H11F2N3S/c1-14-6-4-10-19(23-14)17-8-5-12-22-20(17)16-11-13-21-18-9-3-2-7-15(16)18;1-10-13(19)5-4-12(16(10)20)17-11(3-2-8-21-17)14-6-7-15-18(23-14)24-9-22-15/h2-13H,1H3;2-9H,1H3
InChIKeyJKILERWWRVGHSG-UHFFFAOYSA-N
MW636.73 g/mol
LogP9.67
Rot. Bonds4

About 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline

5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline (PubChem CID 158941771) has the molecular formula C38H26F2N6S and a molecular weight of 636.73 g/mol. Its IUPAC name is 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline.

Molecular Properties

Compound Name5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline
PubChem CID158941771
Molecular FormulaC38H26F2N6S
Molecular Weight636.73 g/mol
Exact Mass636.19
IUPAC Name5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline
SMILESCc1c(F)ccc(-c2ncccc2-c2ccc3ncsc3n2)c1F.Cc1cccc(-c2cccnc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C20H15N3.C18H11F2N3S/c1-14-6-4-10-19(23-14)17-8-5-12-22-20(17)16-11-13-21-18-9-3-2-7-15(16)18;1-10-13(19)5-4-12(16(10)20)17-11(3-2-8-21-17)14-6-7-15-18(23-14)24-9-22-15/h2-13H,1H3;2-9H,1H3
InChIKeyJKILERWWRVGHSG-UHFFFAOYSA-N
XLogP9.67
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.73
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline?
The IUPAC name of 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline (CID 158941771) is 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline.
What is the SMILES notation for 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline?
The canonical SMILES for 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline is Cc1c(F)ccc(-c2ncccc2-c2ccc3ncsc3n2)c1F.Cc1cccc(-c2cccnc2-c2ccnc3ccccc23)n1.
What is the InChIKey of 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline?
The InChIKey is JKILERWWRVGHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3.C18H11F2N3S/c1-14-6-4-10-19(23-14)17-8-5-12-22-20(17)16-11-13-21-18-9-3-2-7-15(16)18;1-10-13(19)5-4-12(16(10)20)17-11(3-2-8-21-17)14-6-7-15-18(23-14)24-9-22-15/h2-13H,1H3;2-9H,1H3.
What are the key properties of 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline?
5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline has a molecular weight of 636.73 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline is sourced from PubChem (CID 158941771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).