4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine

C30H30N2O — CID 171741748

IUPAC4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine
SMILESCC(C)Cc1ncc(-c2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2)c2ccoc12
InChIInChI=1S/C30H30N2O/c1-19(2)14-28-29-24(11-13-33-29)25(18-32-28)21-10-12-31-27(17-21)22-15-20-8-6-7-9-23(20)26(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3
InChIKeyWDFYVALEIJIMDF-UHFFFAOYSA-N
MW434.58 g/mol
LogP8.21
Rot. Bonds4

About 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine

4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine (PubChem CID 171741748) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine
PubChem CID171741748
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine
SMILESCC(C)Cc1ncc(-c2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2)c2ccoc12
InChIInChI=1S/C30H30N2O/c1-19(2)14-28-29-24(11-13-33-29)25(18-32-28)21-10-12-31-27(17-21)22-15-20-8-6-7-9-23(20)26(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3
InChIKeyWDFYVALEIJIMDF-UHFFFAOYSA-N
XLogP8.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741407
2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine
CID 171741293
2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine
CID 171741679
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741873
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741379
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
CID 171741540
7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741895
4-(1-benzofuran-7-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171742214
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
6-(4-tert-butylnaphthalen-2-yl)-14-(2-methylpropyl)-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545618
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine?
The IUPAC name of 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine (CID 171741748) is 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine.
What is the SMILES notation for 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine?
The canonical SMILES for 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine is CC(C)Cc1ncc(-c2ccnc(-c3cc(C(C)(C)C)c4ccccc4c3)c2)c2ccoc12.
What is the InChIKey of 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine?
The InChIKey is WDFYVALEIJIMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-19(2)14-28-29-24(11-13-33-29)25(18-32-28)21-10-12-31-27(17-21)22-15-20-8-6-7-9-23(20)26(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3.
What are the key properties of 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine?
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine has a molecular weight of 434.58 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine is sourced from PubChem (CID 171741748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).