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

C39H22F6N6O2 — CID 59738980

IUPAC5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)n6)ccc4-5)n3)nc2n1
InChIInChI=1S/C39H22F6N6O2/c1-19-9-15-31-33(46-19)50-35(52-31)29-7-3-5-27(48-29)21-11-13-23-24-14-12-22(18-26(24)37(25(23)17-21,38(40,41)42)39(43,44)45)28-6-4-8-30(49-28)36-51-34-32(53-36)16-10-20(2)47-34/h3-18H,1-2H3
InChIKeyHLLAGFIMEPZGMN-UHFFFAOYSA-N
MW720.63 g/mol
LogP10.22
Rot. Bonds4

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

5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 59738980) has the molecular formula C39H22F6N6O2 and a molecular weight of 720.63 g/mol. Its IUPAC name is 5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID59738980
Molecular FormulaC39H22F6N6O2
Molecular Weight720.63 g/mol
Exact Mass720.17
IUPAC Name5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)n6)ccc4-5)n3)nc2n1
InChIInChI=1S/C39H22F6N6O2/c1-19-9-15-31-33(46-19)50-35(52-31)29-7-3-5-27(48-29)21-11-13-23-24-14-12-22(18-26(24)37(25(23)17-21,38(40,41)42)39(43,44)45)28-6-4-8-30(49-28)36-51-34-32(53-36)16-10-20(2)47-34/h3-18H,1-2H3
InChIKeyHLLAGFIMEPZGMN-UHFFFAOYSA-N
XLogP10.22
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.63
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-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-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-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-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (CID 59738980) is 5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-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-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-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-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is Cc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)n6)ccc4-5)n3)nc2n1.
What is the InChIKey of 5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is HLLAGFIMEPZGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22F6N6O2/c1-19-9-15-31-33(46-19)50-35(52-31)29-7-3-5-27(48-29)21-11-13-23-24-14-12-22(18-26(24)37(25(23)17-21,38(40,41)42)39(43,44)45)28-6-4-8-30(49-28)36-51-34-32(53-36)16-10-20(2)47-34/h3-18H,1-2H3.
What are the key properties of 5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
5-methyl-2-[6-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 720.63 g/mol, XLogP of 10.22, 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-[7-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 59738980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).