2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine

C37H34N8S2 — CID 166112322

IUPAC2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine
SMILESCCc1cccc(-n2ncc(CC)c2-c2cc3ncccc3s2)n1.CCc1cnn(-c2cccc(C)n2)c1-c1cc2ncccc2s1
InChIInChI=1S/C19H18N4S.C18H16N4S/c1-3-13-12-21-23(18-9-5-7-14(4-2)22-18)19(13)17-11-15-16(24-17)8-6-10-20-15;1-3-13-11-20-22(17-8-4-6-12(2)21-17)18(13)16-10-14-15(23-16)7-5-9-19-14/h5-12H,3-4H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyBQXHUHMOEQYKDO-UHFFFAOYSA-N
MW654.87 g/mol
LogP9.08
Rot. Bonds7

About 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine

2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine (PubChem CID 166112322) has the molecular formula C37H34N8S2 and a molecular weight of 654.87 g/mol. Its IUPAC name is 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine
PubChem CID166112322
Molecular FormulaC37H34N8S2
Molecular Weight654.87 g/mol
Exact Mass654.23
IUPAC Name2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine
SMILESCCc1cccc(-n2ncc(CC)c2-c2cc3ncccc3s2)n1.CCc1cnn(-c2cccc(C)n2)c1-c1cc2ncccc2s1
InChIInChI=1S/C19H18N4S.C18H16N4S/c1-3-13-12-21-23(18-9-5-7-14(4-2)22-18)19(13)17-11-15-16(24-17)8-6-10-20-15;1-3-13-11-20-22(17-8-4-6-12(2)21-17)18(13)16-10-14-15(23-16)7-5-9-19-14/h5-12H,3-4H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyBQXHUHMOEQYKDO-UHFFFAOYSA-N
XLogP9.08
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.87
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine
CID 166112315
2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine
CID 166112288
2-thieno[3,2-b]pyridin-2-ylthieno[3,2-b]pyridine
CID 153406098
2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine
CID 166112324
2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[3,2-c]pyridine
CID 24880980
2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine
CID 141201596
2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-c]pyridine
CID 24880979
2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine
CID 67246096
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine
CID 166112311
2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine
CID 166112320
2-methyl-1,3-benzothiazole;2-methylpyridine
CID 160647860

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine?
The IUPAC name of 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine (CID 166112322) is 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine is CCc1cccc(-n2ncc(CC)c2-c2cc3ncccc3s2)n1.CCc1cnn(-c2cccc(C)n2)c1-c1cc2ncccc2s1.
What is the InChIKey of 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine?
The InChIKey is BQXHUHMOEQYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S.C18H16N4S/c1-3-13-12-21-23(18-9-5-7-14(4-2)22-18)19(13)17-11-15-16(24-17)8-6-10-20-15;1-3-13-11-20-22(17-8-4-6-12(2)21-17)18(13)16-10-14-15(23-16)7-5-9-19-14/h5-12H,3-4H2,1-2H3;4-11H,3H2,1-2H3.
What are the key properties of 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine?
2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine has a molecular weight of 654.87 g/mol, XLogP of 9.08, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 166112322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).