2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine

C30H30N2S — CID 171741379

IUPAC2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine
SMILESCC(C)Cc1ccc2sc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)cc2n1
InChIInChI=1S/C30H30N2S/c1-19(2)14-23-10-11-28-27(32-23)18-29(33-28)21-12-13-31-26(17-21)22-15-20-8-6-7-9-24(20)25(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3
InChIKeyKSHWZWGJOCMHCM-UHFFFAOYSA-N
MW450.65 g/mol
LogP8.67
Rot. Bonds4

About 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine

2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine (PubChem CID 171741379) has the molecular formula C30H30N2S and a molecular weight of 450.65 g/mol. Its IUPAC name is 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine
PubChem CID171741379
Molecular FormulaC30H30N2S
Molecular Weight450.65 g/mol
Exact Mass450.21
IUPAC Name2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine
SMILESCC(C)Cc1ccc2sc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)cc2n1
InChIInChI=1S/C30H30N2S/c1-19(2)14-23-10-11-28-27(32-23)18-29(33-28)21-12-13-31-26(17-21)22-15-20-8-6-7-9-24(20)25(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3
InChIKeyKSHWZWGJOCMHCM-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

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Related Compounds

2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741407
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
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
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
3-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-6-(2-methylpropyl)thieno[3,2-c]pyridine
CID 171741244
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]thieno[2,3-c]pyridine
CID 171717762
2-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-5-(2-methylpropyl)thieno[2,3-b]pyridine
CID 171742112
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine?
The IUPAC name of 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine (CID 171741379) is 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine?
The canonical SMILES for 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine is CC(C)Cc1ccc2sc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)cc2n1.
What is the InChIKey of 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine?
The InChIKey is KSHWZWGJOCMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2S/c1-19(2)14-23-10-11-28-27(32-23)18-29(33-28)21-12-13-31-26(17-21)22-15-20-8-6-7-9-24(20)25(16-22)30(3,4)5/h6-13,15-19H,14H2,1-5H3.
What are the key properties of 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine?
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(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 2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 171741379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).