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

C41H26F6N6O2 — CID 59738979

IUPAC5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3ccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6ccc(-c7nc8nc(C)ccc8o7)nc6C)ccc4-5)c(C)n3)nc2n1
InChIInChI=1S/C41H26F6N6O2/c1-19-5-15-33-35(48-19)52-37(54-33)31-13-11-25(21(3)50-31)23-7-9-27-28-10-8-24(18-30(28)39(29(27)17-23,40(42,43)44)41(45,46)47)26-12-14-32(51-22(26)4)38-53-36-34(55-38)16-6-20(2)49-36/h5-18H,1-4H3
InChIKeyCXFHZRLZVLPHOK-UHFFFAOYSA-N
MW748.69 g/mol
LogP10.84
Rot. Bonds4

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

5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 59738979) has the molecular formula C41H26F6N6O2 and a molecular weight of 748.69 g/mol. Its IUPAC name is 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID59738979
Molecular FormulaC41H26F6N6O2
Molecular Weight748.69 g/mol
Exact Mass748.20
IUPAC Name5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3ccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6ccc(-c7nc8nc(C)ccc8o7)nc6C)ccc4-5)c(C)n3)nc2n1
InChIInChI=1S/C41H26F6N6O2/c1-19-5-15-33-35(48-19)52-37(54-33)31-13-11-25(21(3)50-31)23-7-9-27-28-10-8-24(18-30(28)39(29(27)17-23,40(42,43)44)41(45,46)47)26-12-14-32(51-22(26)4)38-53-36-34(55-38)16-6-20(2)49-36/h5-18H,1-4H3
InChIKeyCXFHZRLZVLPHOK-UHFFFAOYSA-N
XLogP10.84
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.69
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (CID 59738979) is 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is Cc1ccc2oc(-c3ccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6ccc(-c7nc8nc(C)ccc8o7)nc6C)ccc4-5)c(C)n3)nc2n1.
What is the InChIKey of 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is CXFHZRLZVLPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26F6N6O2/c1-19-5-15-33-35(48-19)52-37(54-33)31-13-11-25(21(3)50-31)23-7-9-27-28-10-8-24(18-30(28)39(29(27)17-23,40(42,43)44)41(45,46)47)26-12-14-32(51-22(26)4)38-53-36-34(55-38)16-6-20(2)49-36/h5-18H,1-4H3.
What are the key properties of 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 748.69 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 59738979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).