2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

C32H18N6O2 — CID 59738987

IUPAC2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2ccc3ccc(-c4cccc(-c5nc6ncccc6o5)c4)nc3n2)cc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C32H18N6O2/c1-5-20(17-22(7-1)31-37-29-26(39-31)9-3-15-33-29)24-13-11-19-12-14-25(36-28(19)35-24)21-6-2-8-23(18-21)32-38-30-27(40-32)10-4-16-34-30/h1-18H
InChIKeyUTXBRDWKQPISIZ-UHFFFAOYSA-N
MW518.54 g/mol
LogP7.37
Rot. Bonds4

About 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 59738987) has the molecular formula C32H18N6O2 and a molecular weight of 518.54 g/mol. Its IUPAC name is 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID59738987
Molecular FormulaC32H18N6O2
Molecular Weight518.54 g/mol
Exact Mass518.15
IUPAC Name2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2ccc3ccc(-c4cccc(-c5nc6ncccc6o5)c4)nc3n2)cc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C32H18N6O2/c1-5-20(17-22(7-1)31-37-29-26(39-31)9-3-15-33-29)24-13-11-19-12-14-25(36-28(19)35-24)21-6-2-8-23(18-21)32-38-30-27(40-32)10-4-16-34-30/h1-18H
InChIKeyUTXBRDWKQPISIZ-UHFFFAOYSA-N
XLogP7.37
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (CID 59738987) is 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is c1cc(-c2ccc3ccc(-c4cccc(-c5nc6ncccc6o5)c4)nc3n2)cc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is UTXBRDWKQPISIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N6O2/c1-5-20(17-22(7-1)31-37-29-26(39-31)9-3-15-33-29)24-13-11-19-12-14-25(36-28(19)35-24)21-6-2-8-23(18-21)32-38-30-27(40-32)10-4-16-34-30/h1-18H.
What are the key properties of 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 518.54 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 59738987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).