6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine

C30H20N6O2 — CID 59739001

IUPAC6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cnc2nc(-c3cccc(-c4ccc(-c5cccc(-c6nc7cnc(C)cc7o6)n5)cc4)n3)oc2c1
InChIInChI=1S/C30H20N6O2/c1-17-13-27-28(32-15-17)36-30(38-27)24-8-4-6-22(34-24)20-11-9-19(10-12-20)21-5-3-7-23(33-21)29-35-25-16-31-18(2)14-26(25)37-29/h3-16H,1-2H3
InChIKeyIDINAGWBHYCNAR-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.83
Rot. Bonds4

About 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine

6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 59739001) has the molecular formula C30H20N6O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine
PubChem CID59739001
Molecular FormulaC30H20N6O2
Molecular Weight496.53 g/mol
Exact Mass496.16
IUPAC Name6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cnc2nc(-c3cccc(-c4ccc(-c5cccc(-c6nc7cnc(C)cc7o6)n5)cc4)n3)oc2c1
InChIInChI=1S/C30H20N6O2/c1-17-13-27-28(32-15-17)36-30(38-27)24-8-4-6-22(34-24)20-11-9-19(10-12-20)21-5-3-7-23(33-21)29-35-25-16-31-18(2)14-26(25)37-29/h3-16H,1-2H3
InChIKeyIDINAGWBHYCNAR-UHFFFAOYSA-N
XLogP6.83
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine (CID 59739001) is 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine is Cc1cnc2nc(-c3cccc(-c4ccc(-c5cccc(-c6nc7cnc(C)cc7o6)n5)cc4)n3)oc2c1.
What is the InChIKey of 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is IDINAGWBHYCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6O2/c1-17-13-27-28(32-15-17)36-30(38-27)24-8-4-6-22(34-24)20-11-9-19(10-12-20)21-5-3-7-23(33-21)29-35-25-16-31-18(2)14-26(25)37-29/h3-16H,1-2H3.
What are the key properties of 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine?
6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 496.53 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[6-[4-[6-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 59739001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).