3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine

C26H22N2O — CID 171741540

IUPAC3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3coc4cccnc34)ccn2)cc2ccccc12
InChIInChI=1S/C26H22N2O/c1-26(2,3)22-14-19(13-17-7-4-5-8-20(17)22)23-15-18(10-12-27-23)21-16-29-24-9-6-11-28-25(21)24/h4-16H,1-3H3
InChIKeyBIDJKTYOTDNBKA-UHFFFAOYSA-N
MW378.48 g/mol
LogP7.01
Rot. Bonds2

About 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine

3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine (PubChem CID 171741540) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
PubChem CID171741540
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3coc4cccnc34)ccn2)cc2ccccc12
InChIInChI=1S/C26H22N2O/c1-26(2,3)22-14-19(13-17-7-4-5-8-20(17)22)23-15-18(10-12-27-23)21-16-29-24-9-6-11-28-25(21)24/h4-16H,1-3H3
InChIKeyBIDJKTYOTDNBKA-UHFFFAOYSA-N
XLogP7.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine?
The IUPAC name of 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine (CID 171741540) is 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine.
What is the SMILES notation for 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine?
The canonical SMILES for 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine is CC(C)(C)c1cc(-c2cc(-c3coc4cccnc34)ccn2)cc2ccccc12.
What is the InChIKey of 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine?
The InChIKey is BIDJKTYOTDNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-26(2,3)22-14-19(13-17-7-4-5-8-20(17)22)23-15-18(10-12-27-23)21-16-29-24-9-6-11-28-25(21)24/h4-16H,1-3H3.
What are the key properties of 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine?
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine has a molecular weight of 378.48 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine is sourced from PubChem (CID 171741540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).