2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine

C39H22F6N6S2 — CID 59738973

IUPAC2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3ncc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cnc7nc(-c8cccc(C)n8)sc7c6)ccc4-5)cc3s2)n1
InChIInChI=1S/C39H22F6N6S2/c1-19-5-3-7-29(48-19)35-50-33-31(52-35)15-23(17-46-33)21-9-11-25-26-12-10-22(14-28(26)37(27(25)13-21,38(40,41)42)39(43,44)45)24-16-32-34(47-18-24)51-36(53-32)30-8-4-6-20(2)49-30/h3-18H,1-2H3
InChIKeyTUHBCXMJVHHBLN-UHFFFAOYSA-N
MW752.77 g/mol
LogP11.16
Rot. Bonds4

About 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine

2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 59738973) has the molecular formula C39H22F6N6S2 and a molecular weight of 752.77 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID59738973
Molecular FormulaC39H22F6N6S2
Molecular Weight752.77 g/mol
Exact Mass752.13
IUPAC Name2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3ncc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cnc7nc(-c8cccc(C)n8)sc7c6)ccc4-5)cc3s2)n1
InChIInChI=1S/C39H22F6N6S2/c1-19-5-3-7-29(48-19)35-50-33-31(52-35)15-23(17-46-33)21-9-11-25-26-12-10-22(14-28(26)37(27(25)13-21,38(40,41)42)39(43,44)45)24-16-32-34(47-18-24)51-36(53-32)30-8-4-6-20(2)49-30/h3-18H,1-2H3
InChIKeyTUHBCXMJVHHBLN-UHFFFAOYSA-N
XLogP11.16
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.77
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine (CID 59738973) is 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine is Cc1cccc(-c2nc3ncc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cnc7nc(-c8cccc(C)n8)sc7c6)ccc4-5)cc3s2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is TUHBCXMJVHHBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22F6N6S2/c1-19-5-3-7-29(48-19)35-50-33-31(52-35)15-23(17-46-33)21-9-11-25-26-12-10-22(14-28(26)37(27(25)13-21,38(40,41)42)39(43,44)45)24-16-32-34(47-18-24)51-36(53-32)30-8-4-6-20(2)49-30/h3-18H,1-2H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine?
2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 752.77 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-6-[7-[2-(6-methyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 59738973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).