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

C30H30N2S — CID 171741407

IUPAC7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine
SMILESCC(C)Cc1cc2nccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)c2s1
InChIInChI=1S/C30H30N2S/c1-19(2)14-23-18-28-29(33-23)25(11-13-32-28)21-10-12-31-27(17-21)22-15-20-8-6-7-9-24(20)26(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3
InChIKeyHUNREAGTOWTSQI-UHFFFAOYSA-N
MW450.65 g/mol
LogP8.67
Rot. Bonds4

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

7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine (PubChem CID 171741407) has the molecular formula C30H30N2S and a molecular weight of 450.65 g/mol. Its IUPAC name is 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine
PubChem CID171741407
Molecular FormulaC30H30N2S
Molecular Weight450.65 g/mol
Exact Mass450.21
IUPAC Name7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine
SMILESCC(C)Cc1cc2nccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)c2s1
InChIInChI=1S/C30H30N2S/c1-19(2)14-23-18-28-29(33-23)25(11-13-32-28)21-10-12-31-27(17-21)22-15-20-8-6-7-9-24(20)26(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3
InChIKeyHUNREAGTOWTSQI-UHFFFAOYSA-N
XLogP8.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.65
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine with MolForge

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Related Compounds

2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741379
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine
CID 171741748
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
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741873
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
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
CID 171741540
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 154599278
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-6-yl]thieno[2,3-c]pyridine
CID 171718089

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine?
The IUPAC name of 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine (CID 171741407) is 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine is CC(C)Cc1cc2nccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)c2s1.
What is the InChIKey of 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine?
The InChIKey is HUNREAGTOWTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2S/c1-19(2)14-23-18-28-29(33-23)25(11-13-32-28)21-10-12-31-27(17-21)22-15-20-8-6-7-9-24(20)26(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3.
What are the key properties of 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine?
7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine has a molecular weight of 450.65 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 171741407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).