7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine

C17H13FN4S — CID 162761084

IUPAC7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine
SMILESCc1csc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc12
InChIInChI=1S/C17H13FN4S/c1-10-9-23-17-12(5-6-19-15(10)17)13-8-22(2)21-16(13)14-4-3-11(18)7-20-14/h3-9H,1-2H3
InChIKeyWVNIDZFPUJWZFA-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.21
Rot. Bonds2

About 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine

7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine (PubChem CID 162761084) has the molecular formula C17H13FN4S and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine
PubChem CID162761084
Molecular FormulaC17H13FN4S
Molecular Weight324.38 g/mol
Exact Mass324.08
IUPAC Name7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine
SMILESCc1csc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc12
InChIInChI=1S/C17H13FN4S/c1-10-9-23-17-12(5-6-19-15(10)17)13-8-22(2)21-16(13)14-4-3-11(18)7-20-14/h3-9H,1-2H3
InChIKeyWVNIDZFPUJWZFA-UHFFFAOYSA-N
XLogP4.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
US10377753, Example 130
CID 124175977
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
N-(2-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155528043
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155541940
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
7-(4-Methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine
CID 71544373
US20230339900, Example 118
CID 162760816
US20230339900, Example 2
CID 162760946
US20230339900, Example 145
CID 162760955
US11046686, Example 30
CID 146382409

Frequently Asked Questions

What is the IUPAC name of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine?
The IUPAC name of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine (CID 162761084) is 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine.
What is the SMILES notation for 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine?
The canonical SMILES for 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine is Cc1csc2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc12.
What is the InChIKey of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine?
The InChIKey is WVNIDZFPUJWZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4S/c1-10-9-23-17-12(5-6-19-15(10)17)13-8-22(2)21-16(13)14-4-3-11(18)7-20-14/h3-9H,1-2H3.
What are the key properties of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine?
7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine has a molecular weight of 324.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 162761084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).