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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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-2-yl)pyridin-3-yl}isoquinoline
CID 23647572
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
6-(4-Piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
CID 164946801
N-[2-(5-methoxy-2-naphthalen-2-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127040021
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
(NE)-N-[5-[[2-(4-methylphenyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 16045682
(NE)-N-[5-[(2-pyridin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136030631
2-[3-Biphenyl-2-ylmethyl-2-ethyl-8-(pyridin-4-ylmethoxy)-indolizin-1-yl]-2-oxo-acetamide
CID 10624896
2-[3-Biphenyl-2-ylmethyl-2-ethyl-8-(pyridin-2-ylmethoxy)-indolizin-1-yl]-2-oxo-acetamide
CID 10767354
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798

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).